7-amino-N-(2-cyanopropyl)-N-ethylheptanamide

C13H25N3O — CID 54873246

IUPAC7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
SMILESCCN(CC(C)C#N)C(=O)CCCCCCN
InChIInChI=1S/C13H25N3O/c1-3-16(11-12(2)10-15)13(17)8-6-4-5-7-9-14/h12H,3-9,11,14H2,1-2H3
InChIKeyAVBVLXHCGSGBCO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.90
Rot. Bonds9

About 7-amino-N-(2-cyanopropyl)-N-ethylheptanamide

7-amino-N-(2-cyanopropyl)-N-ethylheptanamide (PubChem CID 54873246) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 7-amino-N-(2-cyanopropyl)-N-ethylheptanamide.

Molecular Properties

Compound Name7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
PubChem CID54873246
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
SMILESCCN(CC(C)C#N)C(=O)CCCCCCN
InChIInChI=1S/C13H25N3O/c1-3-16(11-12(2)10-15)13(17)8-6-4-5-7-9-14/h12H,3-9,11,14H2,1-2H3
InChIKeyAVBVLXHCGSGBCO-UHFFFAOYSA-N
XLogP1.90
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664
5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
CID 79470392
3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid
CID 62852815
N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide
CID 60962782
6-amino-N-ethyl-N-(2-hydroxyethyl)hexanamide
CID 60944687
N-(2-cyanopropyl)-N-methylheptanamide
CID 115593392
N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
CID 54979623
7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086
2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
CID 60585362
6-amino-N-ethyl-N-(2-methylprop-2-enyl)hexanamide
CID 24701503
7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide
CID 102993033
N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 94822045

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-cyanopropyl)-N-ethylheptanamide?
The IUPAC name of 7-amino-N-(2-cyanopropyl)-N-ethylheptanamide (CID 54873246) is 7-amino-N-(2-cyanopropyl)-N-ethylheptanamide.
What is the SMILES notation for 7-amino-N-(2-cyanopropyl)-N-ethylheptanamide?
The canonical SMILES for 7-amino-N-(2-cyanopropyl)-N-ethylheptanamide is CCN(CC(C)C#N)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(2-cyanopropyl)-N-ethylheptanamide?
The InChIKey is AVBVLXHCGSGBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-16(11-12(2)10-15)13(17)8-6-4-5-7-9-14/h12H,3-9,11,14H2,1-2H3.
What are the key properties of 7-amino-N-(2-cyanopropyl)-N-ethylheptanamide?
7-amino-N-(2-cyanopropyl)-N-ethylheptanamide has a molecular weight of 239.36 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-cyanopropyl)-N-ethylheptanamide is sourced from PubChem (CID 54873246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).