(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide

C13H29N7O2 — CID 141439784

IUPAC(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
SMILESNC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCN=C(N)N
InChIInChI=1S/C13H29N7O2/c14-9(11(16)21)5-1-3-7-19-12(22)10(15)6-2-4-8-20-13(17)18/h9-10H,1-8,14-15H2,(H2,16,21)(H,19,22)(H4,17,18,20)/t9-,10-/m0/s1
InChIKeyUOAQIQGYHYNBGP-UWVGGRQHSA-N
MW315.42 g/mol
LogP-2.14
Rot. Bonds12

About (2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide

(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide (PubChem CID 141439784) has the molecular formula C13H29N7O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
PubChem CID141439784
Molecular FormulaC13H29N7O2
Molecular Weight315.42 g/mol
Exact Mass315.24
IUPAC Name(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
SMILESNC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCN=C(N)N
InChIInChI=1S/C13H29N7O2/c14-9(11(16)21)5-1-3-7-19-12(22)10(15)6-2-4-8-20-13(17)18/h9-10H,1-8,14-15H2,(H2,16,21)(H,19,22)(H4,17,18,20)/t9-,10-/m0/s1
InChIKeyUOAQIQGYHYNBGP-UWVGGRQHSA-N
XLogP-2.14
TPSA188.63 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 5-2.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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

acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide
CID 155310394
(2S)-2-amino-N-[4-(3-aminopropylamino)butyl]-5-(diaminomethylideneamino)pentanamide
CID 10881162
(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid
CID 87289489
2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride
CID 133113849
2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane
CID 178063021
2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride
CID 90457141
[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]urea
CID 54323460
(2S)-2-[5-[[(2S)-6-amino-2-[5-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]pentanoylamino]hexanoyl]amino]pentanoylamino]-5-(diaminomethylideneamino)pentanoic acid
CID 16748482
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide?
The IUPAC name of (2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide (CID 141439784) is (2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide.
What is the SMILES notation for (2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide?
The canonical SMILES for (2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide is NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCN=C(N)N.
What is the InChIKey of (2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide?
The InChIKey is UOAQIQGYHYNBGP-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H29N7O2/c14-9(11(16)21)5-1-3-7-19-12(22)10(15)6-2-4-8-20-13(17)18/h9-10H,1-8,14-15H2,(H2,16,21)(H,19,22)(H4,17,18,20)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide?
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide has a molecular weight of 315.42 g/mol, XLogP of -2.14, 12 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide is sourced from PubChem (CID 141439784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).