7-amino-N-(cyanomethyl)heptanamide

C9H17N3O — CID 61254077

IUPAC7-amino-N-(cyanomethyl)heptanamide
SMILESN#CCNC(=O)CCCCCCN
InChIInChI=1S/C9H17N3O/c10-6-4-2-1-3-5-9(13)12-8-7-11/h1-6,8,10H2,(H,12,13)
InChIKeyQSPDVWNZDVCSOB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.54
Rot. Bonds7

About 7-amino-N-(cyanomethyl)heptanamide

7-amino-N-(cyanomethyl)heptanamide (PubChem CID 61254077) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 7-amino-N-(cyanomethyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(cyanomethyl)heptanamide
PubChem CID61254077
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name7-amino-N-(cyanomethyl)heptanamide
SMILESN#CCNC(=O)CCCCCCN
InChIInChI=1S/C9H17N3O/c10-6-4-2-1-3-5-9(13)12-8-7-11/h1-6,8,10H2,(H,12,13)
InChIKeyQSPDVWNZDVCSOB-UHFFFAOYSA-N
XLogP0.54
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)decanamide
CID 62399737
N-(cyanomethyl)pentanamide;hydrochloride
CID 141008965
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N-(cyanomethyl)-4-(methylamino)butanamide
CID 61254467
N-(cyanomethyl)-4-methoxybutanamide
CID 78989538
methyl 3-(6-aminohexanoylamino)propanoate
CID 61252126
6-amino-N-butylhexanamide
CID 14914743
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
7-amino-N-butylheptanamide
CID 24689519
7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320
4-amino-N-prop-2-ynylbutanamide
CID 24695167

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(cyanomethyl)heptanamide?
The IUPAC name of 7-amino-N-(cyanomethyl)heptanamide (CID 61254077) is 7-amino-N-(cyanomethyl)heptanamide.
What is the SMILES notation for 7-amino-N-(cyanomethyl)heptanamide?
The canonical SMILES for 7-amino-N-(cyanomethyl)heptanamide is N#CCNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(cyanomethyl)heptanamide?
The InChIKey is QSPDVWNZDVCSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-6-4-2-1-3-5-9(13)12-8-7-11/h1-6,8,10H2,(H,12,13).
What are the key properties of 7-amino-N-(cyanomethyl)heptanamide?
7-amino-N-(cyanomethyl)heptanamide has a molecular weight of 183.25 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(cyanomethyl)heptanamide is sourced from PubChem (CID 61254077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).