2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide

C13H29N5O — CID 155310394

IUPAC2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide
SMILESCCC(C)CCNC(=O)C(N)CCCCN=C(N)N
InChIInChI=1S/C13H29N5O/c1-3-10(2)7-9-17-12(19)11(14)6-4-5-8-18-13(15)16/h10-11H,3-9,14H2,1-2H3,(H,17,19)(H4,15,16,18)
InChIKeyMQHKTQCMBUHPAJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP0.31
Rot. Bonds10

About 2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide

2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide (PubChem CID 155310394) has the molecular formula C13H29N5O and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide.

Molecular Properties

Compound Name2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide
PubChem CID155310394
Molecular FormulaC13H29N5O
Molecular Weight271.41 g/mol
Exact Mass271.24
IUPAC Name2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide
SMILESCCC(C)CCNC(=O)C(N)CCCCN=C(N)N
InChIInChI=1S/C13H29N5O/c1-3-10(2)7-9-17-12(19)11(14)6-4-5-8-18-13(15)16/h10-11H,3-9,14H2,1-2H3,(H,17,19)(H4,15,16,18)
InChIKeyMQHKTQCMBUHPAJ-UHFFFAOYSA-N
XLogP0.31
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid
CID 87289489
acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane
CID 178063021
N-[3-(diaminomethylideneamino)propyl]-2-methylbutanamide
CID 59360329
(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
2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride
CID 90457141
(2R)-2-amino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 174965044
[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]urea
CID 54323460
2-[[2-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
CID 18240548

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide?
The IUPAC name of 2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide (CID 155310394) is 2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide.
What is the SMILES notation for 2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide?
The canonical SMILES for 2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide is CCC(C)CCNC(=O)C(N)CCCCN=C(N)N.
What is the InChIKey of 2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide?
The InChIKey is MQHKTQCMBUHPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O/c1-3-10(2)7-9-17-12(19)11(14)6-4-5-8-18-13(15)16/h10-11H,3-9,14H2,1-2H3,(H,17,19)(H4,15,16,18).
What are the key properties of 2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide?
2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide has a molecular weight of 271.41 g/mol, XLogP of 0.31, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide is sourced from PubChem (CID 155310394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).