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

C14H30N2O — CID 64736449

IUPAC2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOCCCN(C)CC1C(C)CC(C)CC1N
InChIInChI=1S/C14H30N2O/c1-11-8-12(2)13(14(15)9-11)10-16(3)6-5-7-17-4/h11-14H,5-10,15H2,1-4H3
InChIKeyYVANPGPTASZYCX-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.96
Rot. Bonds6

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

2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64736449) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64736449
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOCCCN(C)CC1C(C)CC(C)CC1N
InChIInChI=1S/C14H30N2O/c1-11-8-12(2)13(14(15)9-11)10-16(3)6-5-7-17-4/h11-14H,5-10,15H2,1-4H3
InChIKeyYVANPGPTASZYCX-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 82952445
2-N-(3-methoxypropyl)-2-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64751365
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734672
2-[[cyclopropylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736034
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735424
3-[[3-methoxypropyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008015
3,5-dimethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 64735863
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736433
2-[[butyl(ethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735421
2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 63007747
3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine
CID 64737587
3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64735628

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine (CID 64736449) is 2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine is COCCCN(C)CC1C(C)CC(C)CC1N.
What is the InChIKey of 2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is YVANPGPTASZYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11-8-12(2)13(14(15)9-11)10-16(3)6-5-7-17-4/h11-14H,5-10,15H2,1-4H3.
What are the key properties of 2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64736449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).