1-(4-ethylcycloheptyl)-2-methylpropan-1-amine

C13H27N — CID 79298507

IUPAC1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
SMILESCCC1CCCC(C(N)C(C)C)CC1
InChIInChI=1S/C13H27N/c1-4-11-6-5-7-12(9-8-11)13(14)10(2)3/h10-13H,4-9,14H2,1-3H3
InChIKeyHBOMCXIDXMDYOB-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds3

About 1-(4-ethylcycloheptyl)-2-methylpropan-1-amine

1-(4-ethylcycloheptyl)-2-methylpropan-1-amine (PubChem CID 79298507) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(4-ethylcycloheptyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
PubChem CID79298507
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
SMILESCCC1CCCC(C(N)C(C)C)CC1
InChIInChI=1S/C13H27N/c1-4-11-6-5-7-12(9-8-11)13(14)10(2)3/h10-13H,4-9,14H2,1-3H3
InChIKeyHBOMCXIDXMDYOB-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-ethylcycloheptyl)-2-methylpropan-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

1-(1-bromo-2-methylpropyl)-4-ethylcycloheptane
CID 79298349
N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298525
1-(3-ethylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65394157
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
1-(3-ethylcyclopentyl)ethanamine
CID 65411210
ethylcyclobutane;methanamine
CID 175532329
2-cyclohexyl-1-(4-ethylcyclohexyl)ethanamine
CID 65394351
1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine
CID 79493446
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
1-[(2Z)-2-(aminomethylidene)-5-ethylcyclooctyl]-2-methylpropan-1-amine
CID 155056749
1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65086223
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine
CID 104992511

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcycloheptyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4-ethylcycloheptyl)-2-methylpropan-1-amine (CID 79298507) is 1-(4-ethylcycloheptyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylcycloheptyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-ethylcycloheptyl)-2-methylpropan-1-amine is CCC1CCCC(C(N)C(C)C)CC1.
What is the InChIKey of 1-(4-ethylcycloheptyl)-2-methylpropan-1-amine?
The InChIKey is HBOMCXIDXMDYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-11-6-5-7-12(9-8-11)13(14)10(2)3/h10-13H,4-9,14H2,1-3H3.
What are the key properties of 1-(4-ethylcycloheptyl)-2-methylpropan-1-amine?
1-(4-ethylcycloheptyl)-2-methylpropan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcycloheptyl)-2-methylpropan-1-amine is sourced from PubChem (CID 79298507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).