2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine

C18H36N2 — CID 63493764

IUPAC2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine
SMILESCCC1CCC(N(C)CC2CCCCCC2NC)CC1
InChIInChI=1S/C18H36N2/c1-4-15-10-12-17(13-11-15)20(3)14-16-8-6-5-7-9-18(16)19-2/h15-19H,4-14H2,1-3H3
InChIKeyZUEDSQNVMLSBCO-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds5

About 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine

2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine (PubChem CID 63493764) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine
PubChem CID63493764
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine
SMILESCCC1CCC(N(C)CC2CCCCCC2NC)CC1
InChIInChI=1S/C18H36N2/c1-4-15-10-12-17(13-11-15)20(3)14-16-8-6-5-7-9-18(16)19-2/h15-19H,4-14H2,1-3H3
InChIKeyZUEDSQNVMLSBCO-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[2-(methylamino)cyclohexyl]methyl]cycloheptanamine
CID 62614949
2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine
CID 62614437
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 63469418
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62615779
2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 64519877
N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82744252
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 63483791
2-[[cyclohexyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63483970
2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol
CID 62609891

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine (CID 63493764) is 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine is CCC1CCC(N(C)CC2CCCCCC2NC)CC1.
What is the InChIKey of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine?
The InChIKey is ZUEDSQNVMLSBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-15-10-12-17(13-11-15)20(3)14-16-8-6-5-7-9-18(16)19-2/h15-19H,4-14H2,1-3H3.
What are the key properties of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine?
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 63493764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).