2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine

C16H34N2 — CID 62616700

IUPAC2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCCN(CC)CC1CCCCC1NCCC
InChIInChI=1S/C16H34N2/c1-4-7-13-18(6-3)14-15-10-8-9-11-16(15)17-12-5-2/h15-17H,4-14H2,1-3H3
InChIKeyDGVAPFRIAMJQIG-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds9

About 2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine

2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 62616700) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID62616700
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCCN(CC)CC1CCCCC1NCCC
InChIInChI=1S/C16H34N2/c1-4-7-13-18(6-3)14-15-10-8-9-11-16(15)17-12-5-2/h15-17H,4-14H2,1-3H3
InChIKeyDGVAPFRIAMJQIG-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol
CID 79377489
2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 63493052
N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine
CID 102997195
2-[2-(diethylamino)ethyl]-N-propylcyclopentan-1-amine
CID 79569636
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
CID 62615538
2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62614770
2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 82939975
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63009366
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine (CID 62616700) is 2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine is CCCCN(CC)CC1CCCCC1NCCC.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is DGVAPFRIAMJQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-7-13-18(6-3)14-15-10-8-9-11-16(15)17-12-5-2/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine?
2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 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]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62616700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).