2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

C16H34N2 — CID 63481963

IUPAC2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCCCN(CC)CC1CC(C(C)C)CCC1N
InChIInChI=1S/C16H34N2/c1-5-7-10-18(6-2)12-15-11-14(13(3)4)8-9-16(15)17/h13-16H,5-12,17H2,1-4H3
InChIKeyQHXMLSLPSHWLNA-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.51
Rot. Bonds7

About 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63481963) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63481963
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCCCN(CC)CC1CC(C(C)C)CCC1N
InChIInChI=1S/C16H34N2/c1-5-7-10-18(6-2)12-15-11-14(13(3)4)8-9-16(15)17/h13-16H,5-12,17H2,1-4H3
InChIKeyQHXMLSLPSHWLNA-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55106445
2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
CID 62615538
2-[[cyclopropylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62709059
N-ethyl-2-[[ethyl(propyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63483436
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63493385
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55106257
2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62707763
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454508
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63690532
3-[(dibutylamino)methyl]cyclopentan-1-amine
CID 66008000

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 63481963) is 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is CCCCN(CC)CC1CC(C(C)C)CCC1N.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is QHXMLSLPSHWLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-10-18(6-2)12-15-11-14(13(3)4)8-9-16(15)17/h13-16H,5-12,17H2,1-4H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.51, 7 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]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63481963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).