N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine

C16H29N — CID 65082973

IUPACN-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(NC(C2CC2)C2CC2)CC1
InChIInChI=1S/C16H29N/c1-16(2)10-3-4-14(9-11-16)17-15(12-5-6-12)13-7-8-13/h12-15,17H,3-11H2,1-2H3
InChIKeyVHBOZUKCLJGWBG-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.12
Rot. Bonds4

About N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine

N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65082973) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65082973
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(NC(C2CC2)C2CC2)CC1
InChIInChI=1S/C16H29N/c1-16(2)10-3-4-14(9-11-16)17-15(12-5-6-12)13-7-8-13/h12-15,17H,3-11H2,1-2H3
InChIKeyVHBOZUKCLJGWBG-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,2-dicyclopropylethyl)propylamine
CID 19374854
2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine
CID 21355494
2-Azabicyclo[10.3.2]heptadecane
CID 57212702
N-(cycloheptylmethyl)propan-2-amine
CID 58786931
2,5,7,7-tetramethyl-N-[(2S)-4-methylpentan-2-yl]octan-1-amine
CID 59084876
2-methyl-N-propylcycloheptan-1-amine
CID 61749099
N-(cycloheptylmethyl)cyclopropanamine
CID 62587753
N-(dicyclopropylmethyl)decan-1-amine
CID 63492075
N-ethyl-4-methylcycloheptan-1-amine
CID 65081047
4-methyl-N-propan-2-ylcycloheptan-1-amine
CID 65081158
4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine
CID 65082286
N,4,4-trimethylcycloheptan-1-amine
CID 65082691

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine (CID 65082973) is N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine is CC1(C)CCCC(NC(C2CC2)C2CC2)CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is VHBOZUKCLJGWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-16(2)10-3-4-14(9-11-16)17-15(12-5-6-12)13-7-8-13/h12-15,17H,3-11H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine?
N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65082973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).