7-amino-N-hexan-3-ylheptanamide;hydrochloride

C13H29ClN2O — CID 119757664

IUPAC7-amino-N-hexan-3-ylheptanamide;hydrochloride
SMILESCCCC(CC)NC(=O)CCCCCCN.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-3-9-12(4-2)15-13(16)10-7-5-6-8-11-14;/h12H,3-11,14H2,1-2H3,(H,15,16);1H
InChIKeyIDAXHOMTFQIHJL-UHFFFAOYSA-N
MW264.84 g/mol
LogP3.01
Rot. Bonds10

About 7-amino-N-hexan-3-ylheptanamide;hydrochloride

7-amino-N-hexan-3-ylheptanamide;hydrochloride (PubChem CID 119757664) has the molecular formula C13H29ClN2O and a molecular weight of 264.84 g/mol. Its IUPAC name is 7-amino-N-hexan-3-ylheptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-hexan-3-ylheptanamide;hydrochloride
PubChem CID119757664
Molecular FormulaC13H29ClN2O
Molecular Weight264.84 g/mol
Exact Mass264.20
IUPAC Name7-amino-N-hexan-3-ylheptanamide;hydrochloride
SMILESCCCC(CC)NC(=O)CCCCCCN.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-3-9-12(4-2)15-13(16)10-7-5-6-8-11-14;/h12H,3-11,14H2,1-2H3,(H,15,16);1H
InChIKeyIDAXHOMTFQIHJL-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopentan-3-yl)hexanamide
CID 62652516
N-pentan-3-yldocosanamide
CID 123339332
6-amino-N-(1-cyanobutan-2-yl)hexanamide
CID 62645663
8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
CID 18787747
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799
N-(6-aminohexan-2-yl)octanamide
CID 123172105
4-(hexan-3-ylamino)-4-oxobutanoic acid
CID 62118536
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
N-[4-amino-1-(octadecanoylamino)butyl]octadecanamide
CID 141044961
7-amino-N-(3-methylpentan-2-yl)heptanamide
CID 61464292
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-hexan-3-ylheptanamide;hydrochloride?
The IUPAC name of 7-amino-N-hexan-3-ylheptanamide;hydrochloride (CID 119757664) is 7-amino-N-hexan-3-ylheptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-hexan-3-ylheptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-hexan-3-ylheptanamide;hydrochloride is CCCC(CC)NC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-hexan-3-ylheptanamide;hydrochloride?
The InChIKey is IDAXHOMTFQIHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.ClH/c1-3-9-12(4-2)15-13(16)10-7-5-6-8-11-14;/h12H,3-11,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 7-amino-N-hexan-3-ylheptanamide;hydrochloride?
7-amino-N-hexan-3-ylheptanamide;hydrochloride has a molecular weight of 264.84 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-hexan-3-ylheptanamide;hydrochloride is sourced from PubChem (CID 119757664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).