4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine

C17H33N — CID 65088157

IUPAC4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
SMILESCCC1CCCC(NC2CCCC(CC)C2)CC1
InChIInChI=1S/C17H33N/c1-3-14-7-5-9-16(12-11-14)18-17-10-6-8-15(4-2)13-17/h14-18H,3-13H2,1-2H3
InChIKeyVUBFICVAUVMKDO-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.90
Rot. Bonds4

About 4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine

4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine (PubChem CID 65088157) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
PubChem CID65088157
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
SMILESCCC1CCCC(NC2CCCC(CC)C2)CC1
InChIInChI=1S/C17H33N/c1-3-14-7-5-9-16(12-11-14)18-17-10-6-8-15(4-2)13-17/h14-18H,3-13H2,1-2H3
InChIKeyVUBFICVAUVMKDO-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine
CID 79461810
N-(3-ethylcyclopentyl)-3-methylcyclohexan-1-amine
CID 64501673
3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
CID 64623583
4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine
CID 114122927
N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470279
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine
CID 64740887
N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64747002
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
4-[(3-ethylcyclohexyl)amino]piperidine-1-carboxamide
CID 64742206
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine (CID 65088157) is 4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine is CCC1CCCC(NC2CCCC(CC)C2)CC1.
What is the InChIKey of 4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine?
The InChIKey is VUBFICVAUVMKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-14-7-5-9-16(12-11-14)18-17-10-6-8-15(4-2)13-17/h14-18H,3-13H2,1-2H3.
What are the key properties of 4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine?
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine is sourced from PubChem (CID 65088157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).