2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine

C14H30N2O — CID 62609792

IUPAC2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine
SMILESCCN(CC1CC(C)CCC1N)C(C)COC
InChIInChI=1S/C14H30N2O/c1-5-16(12(3)10-17-4)9-13-8-11(2)6-7-14(13)15/h11-14H,5-10,15H2,1-4H3
InChIKeyVEGRJWJQTQWUPB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds6

About 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine

2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine (PubChem CID 62609792) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine
PubChem CID62609792
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine
SMILESCCN(CC1CC(C)CCC1N)C(C)COC
InChIInChI=1S/C14H30N2O/c1-5-16(12(3)10-17-4)9-13-8-11(2)6-7-14(13)15/h11-14H,5-10,15H2,1-4H3
InChIKeyVEGRJWJQTQWUPB-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine (CID 62609792) is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine is CCN(CC1CC(C)CCC1N)C(C)COC.
What is the InChIKey of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine?
The InChIKey is VEGRJWJQTQWUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-16(12(3)10-17-4)9-13-8-11(2)6-7-14(13)15/h11-14H,5-10,15H2,1-4H3.
What are the key properties of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine?
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62609792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).