N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide

C16H32N2O — CID 43319428

IUPACN-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C16H32N2O/c1-16(2,3)13-15(19)18(12-8-11-17)14-9-6-4-5-7-10-14/h14H,4-13,17H2,1-3H3
InChIKeyWMEATSZQJRSZPZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.32
Rot. Bonds5

About N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide

N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide (PubChem CID 43319428) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide
PubChem CID43319428
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C16H32N2O/c1-16(2,3)13-15(19)18(12-8-11-17)14-9-6-4-5-7-10-14/h14H,4-13,17H2,1-3H3
InChIKeyWMEATSZQJRSZPZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

N-(2-aminoethyl)-N-cyclopentyl-3,3-dimethylbutanamide
CID 63755164
N-(3-aminopropyl)-N-cyclohexyl-2,2-dimethylpropanamide
CID 43136880
3-amino-N-(3-aminopropyl)-N-cyclohexylpropanamide
CID 134484716
N-(3-aminopropyl)-N-cycloheptylbutanamide
CID 43136885
N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide
CID 43319420
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887
1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea
CID 79153945
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea
CID 102874239
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide
CID 114212706
N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide
CID 62588970

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide?
The IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide (CID 43319428) is N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide is CC(C)(C)CC(=O)N(CCCN)C1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide?
The InChIKey is WMEATSZQJRSZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-16(2,3)13-15(19)18(12-8-11-17)14-9-6-4-5-7-10-14/h14H,4-13,17H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide?
N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide has a molecular weight of 268.44 g/mol, XLogP of 3.32, 5 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-3,3-dimethylbutanamide is sourced from PubChem (CID 43319428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).