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

C18H36N2 — CID 63484004

IUPAC2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1CN(CCC)C1CC1
InChIInChI=1S/C18H36N2/c1-4-11-19-18-10-7-15(6-3)13-16(18)14-20(12-5-2)17-8-9-17/h15-19H,4-14H2,1-3H3
InChIKeyBBWSIROXURFFAV-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds9

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

2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine (PubChem CID 63484004) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine
PubChem CID63484004
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1CN(CCC)C1CC1
InChIInChI=1S/C18H36N2/c1-4-11-19-18-10-7-15(6-3)13-16(18)14-20(12-5-2)17-8-9-17/h15-19H,4-14H2,1-3H3
InChIKeyBBWSIROXURFFAV-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

4-ethyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483081
2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62610841
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
CID 62611350
2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 102870906
2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63484331
2-[[cyclopropyl(propyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62615565
2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63403718
2-[[cyclopropyl(propyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 62615562
2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610825
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 78991235
2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093550
4-ethyl-2-N-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63464854

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine (CID 63484004) is 2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1CN(CCC)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is BBWSIROXURFFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-11-19-18-10-7-15(6-3)13-16(18)14-20(12-5-2)17-8-9-17/h15-19H,4-14H2,1-3H3.
What are the key properties of 2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine?
2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 9 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]-4-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63484004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).