6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride

C13H28ClN5O2 — CID 44783950

IUPAC6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride
SMILESCl.NCCCCCC(=O)/N=C(\N)NC(=O)CCCCCN
InChIInChI=1S/C13H27N5O2.ClH/c14-9-5-1-3-7-11(19)17-13(16)18-12(20)8-4-2-6-10-15;/h1-10,14-15H2,(H3,16,17,18,19,20);1H
InChIKeyKMKHRBRBESKOQF-UHFFFAOYSA-N
MW321.85 g/mol
LogP0.40
Rot. Bonds10

About 6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride

6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride (PubChem CID 44783950) has the molecular formula C13H28ClN5O2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride.

Molecular Properties

Compound Name6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride
PubChem CID44783950
Molecular FormulaC13H28ClN5O2
Molecular Weight321.85 g/mol
Exact Mass321.19
IUPAC Name6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride
SMILESCl.NCCCCCC(=O)/N=C(\N)NC(=O)CCCCCN
InChIInChI=1S/C13H27N5O2.ClH/c14-9-5-1-3-7-11(19)17-13(16)18-12(20)8-4-2-6-10-15;/h1-10,14-15H2,(H3,16,17,18,19,20);1H
InChIKeyKMKHRBRBESKOQF-UHFFFAOYSA-N
XLogP0.40
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

20-amino-N-hydroxyicosanamide
CID 87686702
14-amino-N-hydroxytetradecanamide
CID 87686192
27-amino-N-hydroxyheptacosanamide
CID 87684790
N,N'-bis(diaminomethylidene)octanediamide
CID 22639613
7-amino-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674126
16-aminohexadecanamide
CID 86033165
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
12-aminododecanoic acid;hydrochloride
CID 12651573
2-(7-aminoheptanoylamino)acetic acid
CID 18934956

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride?
The IUPAC name of 6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride (CID 44783950) is 6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride.
What is the SMILES notation for 6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride?
The canonical SMILES for 6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride is Cl.NCCCCCC(=O)/N=C(\N)NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride?
The InChIKey is KMKHRBRBESKOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2.ClH/c14-9-5-1-3-7-11(19)17-13(16)18-12(20)8-4-2-6-10-15;/h1-10,14-15H2,(H3,16,17,18,19,20);1H.
What are the key properties of 6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride?
6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 0.40, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride is sourced from PubChem (CID 44783950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).