(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide

C10H23N5O — CID 22801050

IUPAC(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
SMILESCCCCNC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C10H23N5O/c1-2-3-6-14-9(16)8(11)5-4-7-15-10(12)13/h8H,2-7,11H2,1H3,(H,14,16)(H4,12,13,15)/t8-/m0/s1
InChIKeyUUSWLEQEVZCHKL-QMMMGPOBSA-N
MW229.33 g/mol
LogP-0.72
Rot. Bonds8

About (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide

(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide (PubChem CID 22801050) has the molecular formula C10H23N5O and a molecular weight of 229.33 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
PubChem CID22801050
Molecular FormulaC10H23N5O
Molecular Weight229.33 g/mol
Exact Mass229.19
IUPAC Name(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
SMILESCCCCNC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C10H23N5O/c1-2-3-6-14-9(16)8(11)5-4-7-15-10(12)13/h8H,2-7,11H2,1H3,(H,14,16)(H4,12,13,15)/t8-/m0/s1
InChIKeyUUSWLEQEVZCHKL-QMMMGPOBSA-N
XLogP-0.72
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 5-0.72
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'}

Analyze (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
(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
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide
CID 155310394
(2R)-2-amino-N-butylpentanamide
CID 82668431
2-amino-N-[2-amino-3-[dodecyl(hexadecyl)amino]-3-oxopropyl]-5-(diaminomethylideneamino)pentanamide
CID 87104546
2-amino-N-[2-amino-3-[hexadecyl(octadecyl)amino]-3-oxopropyl]-5-(diaminomethylideneamino)pentanamide
CID 123539871
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
N-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]icosanamide
CID 139764090
2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride
CID 133113849

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide?
The IUPAC name of (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide (CID 22801050) is (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide?
The canonical SMILES for (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide is CCCCNC(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide?
The InChIKey is UUSWLEQEVZCHKL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H23N5O/c1-2-3-6-14-9(16)8(11)5-4-7-15-10(12)13/h8H,2-7,11H2,1H3,(H,14,16)(H4,12,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide?
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide has a molecular weight of 229.33 g/mol, XLogP of -0.72, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide is sourced from PubChem (CID 22801050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).