N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide

C16H32N2O — CID 43319420

IUPACN-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide
SMILESCC(C)CCC(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C16H32N2O/c1-14(2)10-11-16(19)18(13-7-12-17)15-8-5-3-4-6-9-15/h14-15H,3-13,17H2,1-2H3
InChIKeyBJDNCPDTIJTKPF-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.32
Rot. Bonds7

About N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide

N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide (PubChem CID 43319420) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide
PubChem CID43319420
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide
SMILESCC(C)CCC(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C16H32N2O/c1-14(2)10-11-16(19)18(13-7-12-17)15-8-5-3-4-6-9-15/h14-15H,3-13,17H2,1-2H3
InChIKeyBJDNCPDTIJTKPF-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide?
The IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide (CID 43319420) is N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide?
The canonical SMILES for N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide is CC(C)CCC(=O)N(CCCN)C1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide?
The InChIKey is BJDNCPDTIJTKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)10-11-16(19)18(13-7-12-17)15-8-5-3-4-6-9-15/h14-15H,3-13,17H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide?
N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide has a molecular weight of 268.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide is sourced from PubChem (CID 43319420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).