2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine

C18H36N2 — CID 63484331

IUPAC2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCCN(CC1CC(C(C)C)CCC1NCC)C1CC1
InChIInChI=1S/C18H36N2/c1-5-11-20(17-8-9-17)13-16-12-15(14(3)4)7-10-18(16)19-6-2/h14-19H,5-13H2,1-4H3
InChIKeyLNKVMYZKWGLWQA-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds8

About 2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine

2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63484331) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID63484331
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCCN(CC1CC(C(C)C)CCC1NCC)C1CC1
InChIInChI=1S/C18H36N2/c1-5-11-20(17-8-9-17)13-16-12-15(14(3)4)7-10-18(16)19-6-2/h14-19H,5-13H2,1-4H3
InChIKeyLNKVMYZKWGLWQA-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64522640
N-ethyl-2-[[ethyl(propyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63483436
2-[[cyclopropyl(propyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 62615562
2-[cyclopropyl-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 62708874
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63690532
N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82744332
N-ethyl-2-(2-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 55186543
2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 63484004
2-[cyclopentyl-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 62704902
2-[2,2-difluoroethyl-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 107486534
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine (CID 63484331) is 2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine is CCCN(CC1CC(C(C)C)CCC1NCC)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is LNKVMYZKWGLWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-11-20(17-8-9-17)13-16-12-15(14(3)4)7-10-18(16)19-6-2/h14-19H,5-13H2,1-4H3.
What are the key properties of 2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63484331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).