2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine

C18H38N2 — CID 64735419

IUPAC2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCCN(CC)CC1C(C)CC(C)CC1NCCC
InChIInChI=1S/C18H38N2/c1-6-9-11-20(8-3)14-17-16(5)12-15(4)13-18(17)19-10-7-2/h15-19H,6-14H2,1-5H3
InChIKeyFVGXJDBXOBRCHY-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.16
Rot. Bonds9

About 2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine

2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64735419) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64735419
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCCN(CC)CC1C(C)CC(C)CC1NCCC
InChIInChI=1S/C18H38N2/c1-6-9-11-20(8-3)14-17-16(5)12-15(4)13-18(17)19-10-7-2/h15-19H,6-14H2,1-5H3
InChIKeyFVGXJDBXOBRCHY-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 64735248
2-[[cyclopropylmethyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736455
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412
2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64737206
2-[[butyl(ethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735421
2-[ethyl-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]amino]ethanol
CID 64735434
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724626
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735424
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736657
2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616700
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736014

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64735419) is 2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCCN(CC)CC1C(C)CC(C)CC1NCCC.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is FVGXJDBXOBRCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-9-11-20(8-3)14-17-16(5)12-15(4)13-18(17)19-10-7-2/h15-19H,6-14H2,1-5H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64735419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).