2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

C18H36N2 — CID 63159689

IUPAC2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCC1(C)CCN(CC2CC(C(C)C)CCC2N)CC1
InChIInChI=1S/C18H36N2/c1-5-18(4)8-10-20(11-9-18)13-16-12-15(14(2)3)6-7-17(16)19/h14-17H,5-13,19H2,1-4H3
InChIKeyBJBHCUBFRULKRN-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.90
Rot. Bonds4

About 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63159689) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63159689
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCC1(C)CCN(CC2CC(C(C)C)CCC2N)CC1
InChIInChI=1S/C18H36N2/c1-5-18(4)8-10-20(11-9-18)13-16-12-15(14(2)3)6-7-17(16)19/h14-17H,5-13,19H2,1-4H3
InChIKeyBJBHCUBFRULKRN-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 63159689) is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is CCC1(C)CCN(CC2CC(C(C)C)CCC2N)CC1.
What is the InChIKey of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is BJBHCUBFRULKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-18(4)8-10-20(11-9-18)13-16-12-15(14(2)3)6-7-17(16)19/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63159689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).