7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide

C16H32N2O — CID 119776954

IUPAC7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide
SMILESCCC(C)C(C)N(C(=O)CCCCCCN)C1CC1
InChIInChI=1S/C16H32N2O/c1-4-13(2)14(3)18(15-10-11-15)16(19)9-7-5-6-8-12-17/h13-15H,4-12,17H2,1-3H3
InChIKeyOWUAMLMAJXJTJP-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.32
Rot. Bonds10

About 7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide

7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide (PubChem CID 119776954) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide
PubChem CID119776954
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide
SMILESCCC(C)C(C)N(C(=O)CCCCCCN)C1CC1
InChIInChI=1S/C16H32N2O/c1-4-13(2)14(3)18(15-10-11-15)16(19)9-7-5-6-8-12-17/h13-15H,4-12,17H2,1-3H3
InChIKeyOWUAMLMAJXJTJP-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide
CID 119319725
4-amino-N-cyclopentyl-N-propan-2-ylbutanamide
CID 119291427
6-amino-N-cyclopropyl-N-(3-methylbutyl)hexanamide
CID 54870672
3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride
CID 120610537
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
CID 20752266
N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 95156131
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
6-amino-N-cyclopentyl-N-methylhexanamide
CID 43267226
2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
CID 119203177
6-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)hexanamide
CID 54870299
7-amino-N-cyclooctyl-N-methylheptanamide
CID 119763844
7-amino-N-cycloheptyl-N-methylheptanamide
CID 43614064

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide?
The IUPAC name of 7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide (CID 119776954) is 7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide.
What is the SMILES notation for 7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide?
The canonical SMILES for 7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide is CCC(C)C(C)N(C(=O)CCCCCCN)C1CC1.
What is the InChIKey of 7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide?
The InChIKey is OWUAMLMAJXJTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-13(2)14(3)18(15-10-11-15)16(19)9-7-5-6-8-12-17/h13-15H,4-12,17H2,1-3H3.
What are the key properties of 7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide?
7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide has a molecular weight of 268.44 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide is sourced from PubChem (CID 119776954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).