2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine

C17H36N2 — CID 64735424

IUPAC2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCCCN(CCCC)CC1C(C)CC(C)CC1N
InChIInChI=1S/C17H36N2/c1-5-7-9-19(10-8-6-2)13-16-15(4)11-14(3)12-17(16)18/h14-17H,5-13,18H2,1-4H3
InChIKeyGOQLNTIVHMQAIJ-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.90
Rot. Bonds8

About 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine

2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64735424) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64735424
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCCCN(CCCC)CC1C(C)CC(C)CC1N
InChIInChI=1S/C17H36N2/c1-5-7-9-19(10-8-6-2)13-16-15(4)11-14(3)12-17(16)18/h14-17H,5-13,18H2,1-4H3
InChIKeyGOQLNTIVHMQAIJ-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[butyl(ethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735421
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736657
2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol
CID 64735435
1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79379942
2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 64735248
2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735419
2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736449
2-[[cyclopropylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736034
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734672
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 82952445
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64737229
N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline
CID 64737201

Frequently Asked Questions

What is the IUPAC name of 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine (CID 64735424) is 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine is CCCCN(CCCC)CC1C(C)CC(C)CC1N.
What is the InChIKey of 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is GOQLNTIVHMQAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-7-9-19(10-8-6-2)13-16-15(4)11-14(3)12-17(16)18/h14-17H,5-13,18H2,1-4H3.
What are the key properties of 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine?
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64735424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).