2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C19H38N2 — CID 63470296

IUPAC2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC1CCN(C2CC(C(C)(C)CC)CCC2NC)CC1
InChIInChI=1S/C19H38N2/c1-6-15-10-12-21(13-11-15)18-14-16(19(3,4)7-2)8-9-17(18)20-5/h15-18,20H,6-14H2,1-5H3
InChIKeyMKLFGHONAPAAAQ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds5

About 2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 63470296) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID63470296
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC1CCN(C2CC(C(C)(C)CC)CCC2NC)CC1
InChIInChI=1S/C19H38N2/c1-6-15-10-12-21(13-11-15)18-14-16(19(3,4)7-2)8-9-17(18)20-5/h15-18,20H,6-14H2,1-5H3
InChIKeyMKLFGHONAPAAAQ-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 63470296) is 2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC1CCN(C2CC(C(C)(C)CC)CCC2NC)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is MKLFGHONAPAAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-15-10-12-21(13-11-15)18-14-16(19(3,4)7-2)8-9-17(18)20-5/h15-18,20H,6-14H2,1-5H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63470296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).