1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine

C17H34N2 — CID 64554686

IUPAC1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCCC1(CC)CCN(CC2(N)CCCC(C)C2)CC1
InChIInChI=1S/C17H34N2/c1-4-16(5-2)9-11-19(12-10-16)14-17(18)8-6-7-15(3)13-17/h15H,4-14,18H2,1-3H3
InChIKeyTVOOWEJEPJTQNL-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.80
Rot. Bonds4

About 1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine

1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 64554686) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine
PubChem CID64554686
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCCC1(CC)CCN(CC2(N)CCCC(C)C2)CC1
InChIInChI=1S/C17H34N2/c1-4-16(5-2)9-11-19(12-10-16)14-17(18)8-6-7-15(3)13-17/h15H,4-14,18H2,1-3H3
InChIKeyTVOOWEJEPJTQNL-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine (CID 64554686) is 1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine is CCC1(CC)CCN(CC2(N)CCCC(C)C2)CC1.
What is the InChIKey of 1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is TVOOWEJEPJTQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-16(5-2)9-11-19(12-10-16)14-17(18)8-6-7-15(3)13-17/h15H,4-14,18H2,1-3H3.
What are the key properties of 1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine?
1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 64554686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).