2,4-diethyl-4,7-dimethylcycloheptan-1-amine

C13H27N — CID 163861174

IUPAC2,4-diethyl-4,7-dimethylcycloheptan-1-amine
SMILESCCC1CC(C)(CC)CCC(C)C1N
InChIInChI=1S/C13H27N/c1-5-11-9-13(4,6-2)8-7-10(3)12(11)14/h10-12H,5-9,14H2,1-4H3
InChIKeyPCQOIWQMLGBXQR-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds2

About 2,4-diethyl-4,7-dimethylcycloheptan-1-amine

2,4-diethyl-4,7-dimethylcycloheptan-1-amine (PubChem CID 163861174) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,4-diethyl-4,7-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name2,4-diethyl-4,7-dimethylcycloheptan-1-amine
PubChem CID163861174
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,4-diethyl-4,7-dimethylcycloheptan-1-amine
SMILESCCC1CC(C)(CC)CCC(C)C1N
InChIInChI=1S/C13H27N/c1-5-11-9-13(4,6-2)8-7-10(3)12(11)14/h10-12H,5-9,14H2,1-4H3
InChIKeyPCQOIWQMLGBXQR-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 2,4-diethyl-4,7-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

(1S,2R,5R)-5-ethyl-2,5-dimethylcyclohexan-1-ol
CID 130762477
ethane;2-ethyl-5-methylcyclopentan-1-amine
CID 176686280
(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
1-ethyl-1,3-dimethyl-4-propan-2-ylcyclohexane
CID 158729165
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
3-ethyl-3-methylcyclobutan-1-amine
CID 121388624
1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328
3-ethyl-3-methylbicyclo[4.2.1]nonane
CID 146888637
cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride
CID 141264865
ethane;(4-ethyl-4-methylcyclohexyl)methanamine
CID 143414681
[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
CID 129322383
1-ethyl-1,4-dimethylcycloheptane
CID 91266372

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-4,7-dimethylcycloheptan-1-amine?
The IUPAC name of 2,4-diethyl-4,7-dimethylcycloheptan-1-amine (CID 163861174) is 2,4-diethyl-4,7-dimethylcycloheptan-1-amine.
What is the SMILES notation for 2,4-diethyl-4,7-dimethylcycloheptan-1-amine?
The canonical SMILES for 2,4-diethyl-4,7-dimethylcycloheptan-1-amine is CCC1CC(C)(CC)CCC(C)C1N.
What is the InChIKey of 2,4-diethyl-4,7-dimethylcycloheptan-1-amine?
The InChIKey is PCQOIWQMLGBXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-11-9-13(4,6-2)8-7-10(3)12(11)14/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 2,4-diethyl-4,7-dimethylcycloheptan-1-amine?
2,4-diethyl-4,7-dimethylcycloheptan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-4,7-dimethylcycloheptan-1-amine is sourced from PubChem (CID 163861174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).