acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide

C24H52N10O4 — CID 54604077

IUPACacetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
SMILESCC(=O)O.NC(N)=NCCCC(N)C(=O)NCCCCCCCCCCNC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C22H48N10O2.C2H4O2/c23-17(11-9-15-31-21(25)26)19(33)29-13-7-5-3-1-2-4-6-8-14-30-20(34)18(24)12-10-16-32-22(27)28;1-2(3)4/h17-18H,1-16,23-24H2,(H,29,33)(H,30,34)(H4,25,26,31)(H4,27,28,32);1H3,(H,3,4)
InChIKeyLXSSTGCRZGKMHF-UHFFFAOYSA-N
MW544.75 g/mol
LogP-0.81
Rot. Bonds21

About acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide

acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide (PubChem CID 54604077) has the molecular formula C24H52N10O4 and a molecular weight of 544.75 g/mol. Its IUPAC name is acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide.

Molecular Properties

Compound Nameacetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
PubChem CID54604077
Molecular FormulaC24H52N10O4
Molecular Weight544.75 g/mol
Exact Mass544.42
IUPAC Nameacetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
SMILESCC(=O)O.NC(N)=NCCCC(N)C(=O)NCCCCCCCCCCNC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C22H48N10O2.C2H4O2/c23-17(11-9-15-31-21(25)26)19(33)29-13-7-5-3-1-2-4-6-8-14-30-20(34)18(24)12-10-16-32-22(27)28;1-2(3)4/h17-18H,1-16,23-24H2,(H,29,33)(H,30,34)(H4,25,26,31)(H4,27,28,32);1H3,(H,3,4)
InChIKeyLXSSTGCRZGKMHF-UHFFFAOYSA-N
XLogP-0.81
TPSA276.34 Ų
H-Bond Donors9
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.75
LogP ≤ 5-0.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid
CID 87289489
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784
(2S)-2-amino-N-[4-(3-aminopropylamino)butyl]-5-(diaminomethylideneamino)pentanamide
CID 10881162
2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride
CID 133113849
acetic acid;methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175503093
2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride
CID 90457141
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane
CID 178063021
2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide
CID 155310394
2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 101098394
[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]urea
CID 54323460

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide?
The IUPAC name of acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide (CID 54604077) is acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide.
What is the SMILES notation for acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide?
The canonical SMILES for acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide is CC(=O)O.NC(N)=NCCCC(N)C(=O)NCCCCCCCCCCNC(=O)C(N)CCCN=C(N)N.
What is the InChIKey of acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide?
The InChIKey is LXSSTGCRZGKMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N10O2.C2H4O2/c23-17(11-9-15-31-21(25)26)19(33)29-13-7-5-3-1-2-4-6-8-14-30-20(34)18(24)12-10-16-32-22(27)28;1-2(3)4/h17-18H,1-16,23-24H2,(H,29,33)(H,30,34)(H4,25,26,31)(H4,27,28,32);1H3,(H,3,4).
What are the key properties of acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide?
acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide has a molecular weight of 544.75 g/mol, XLogP of -0.81, 21 rotatable bonds, 9 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide is sourced from PubChem (CID 54604077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).