N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine

C16H33N — CID 113457752

IUPACN-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NC(C)C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-6-8-14-9-7-10-15(12-11-14)17-13(2)16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyVETJSININZDGAA-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine

N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine (PubChem CID 113457752) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
PubChem CID113457752
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NC(C)C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-6-8-14-9-7-10-15(12-11-14)17-13(2)16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyVETJSININZDGAA-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-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-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091481
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
CID 65086617
4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane
CID 123921809
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
CID 65091606
N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine
CID 63456173
4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
CID 65091708
N-[1-(2,6-difluorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 65091642

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine (CID 113457752) is N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine is CCCC1CCCC(NC(C)C(C)(C)C)CC1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine?
The InChIKey is VETJSININZDGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-8-14-9-7-10-15(12-11-14)17-13(2)16(3,4)5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine?
N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 113457752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).