[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine

C19H38N2 — CID 107429031

IUPAC[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
SMILESCCC1(C)CCN(C2(CN)CCCC(CC(C)C)C2)CC1
InChIInChI=1S/C19H38N2/c1-5-18(4)9-11-21(12-10-18)19(15-20)8-6-7-17(14-19)13-16(2)3/h16-17H,5-15,20H2,1-4H3
InChIKeyZAVYCHQSAVQTHQ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.43
Rot. Bonds5

About [1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine

[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine (PubChem CID 107429031) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is [1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
PubChem CID107429031
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
SMILESCCC1(C)CCN(C2(CN)CCCC(CC(C)C)C2)CC1
InChIInChI=1S/C19H38N2/c1-5-18(4)9-11-21(12-10-18)19(15-20)8-6-7-17(14-19)13-16(2)3/h16-17H,5-15,20H2,1-4H3
InChIKeyZAVYCHQSAVQTHQ-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine (CID 107429031) is [1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine is CCC1(C)CCN(C2(CN)CCCC(CC(C)C)C2)CC1.
What is the InChIKey of [1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
The InChIKey is ZAVYCHQSAVQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-18(4)9-11-21(12-10-18)19(15-20)8-6-7-17(14-19)13-16(2)3/h16-17H,5-15,20H2,1-4H3.
What are the key properties of [1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine has a molecular weight of 294.53 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine is sourced from PubChem (CID 107429031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).