7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride

C13H27ClN2O2 — CID 119724916

IUPAC7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCC1CCOCC1
InChIInChI=1S/C13H26N2O2.ClH/c14-8-4-2-1-3-5-13(16)15-11-12-6-9-17-10-7-12;/h12H,1-11,14H2,(H,15,16);1H
InChIKeyPPHKSAXVNUZACF-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.86
Rot. Bonds8

About 7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride

7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride (PubChem CID 119724916) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride
PubChem CID119724916
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCC1CCOCC1
InChIInChI=1S/C13H26N2O2.ClH/c14-8-4-2-1-3-5-13(16)15-11-12-6-9-17-10-7-12;/h12H,1-11,14H2,(H,15,16);1H
InChIKeyPPHKSAXVNUZACF-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658
4-amino-N-(cyclobutylmethyl)butanamide
CID 43298749
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168
7-amino-1-(oxan-4-yl)heptan-2-one
CID 116550051
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
8-amino-N-(oxolan-3-yloxy)octanamide
CID 89167613
5-[(3S)-dithiolan-3-yl]-N-(oxan-4-ylmethyl)pentanamide
CID 96544591
7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride
CID 119795866
7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride
CID 119885095

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride (CID 119724916) is 7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCC1CCOCC1.
What is the InChIKey of 7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride?
The InChIKey is PPHKSAXVNUZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c14-8-4-2-1-3-5-13(16)15-11-12-6-9-17-10-7-12;/h12H,1-11,14H2,(H,15,16);1H.
What are the key properties of 7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride?
7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride is sourced from PubChem (CID 119724916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).