[4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine

C18H36N2 — CID 114592435

IUPAC[4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)(N2CC(C)CC(C)C2C)CC1
InChIInChI=1S/C18H36N2/c1-5-6-17-7-9-18(13-19,10-8-17)20-12-14(2)11-15(3)16(20)4/h14-17H,5-13,19H2,1-4H3
InChIKeyRTJBLGNPAMQGFE-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.04
Rot. Bonds4

About [4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine

[4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine (PubChem CID 114592435) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is [4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
PubChem CID114592435
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name[4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)(N2CC(C)CC(C)C2C)CC1
InChIInChI=1S/C18H36N2/c1-5-6-17-7-9-18(13-19,10-8-17)20-12-14(2)11-15(3)16(20)4/h14-17H,5-13,19H2,1-4H3
InChIKeyRTJBLGNPAMQGFE-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine (CID 114592435) is [4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine is CCCC1CCC(CN)(N2CC(C)CC(C)C2C)CC1.
What is the InChIKey of [4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine?
The InChIKey is RTJBLGNPAMQGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-6-17-7-9-18(13-19,10-8-17)20-12-14(2)11-15(3)16(20)4/h14-17H,5-13,19H2,1-4H3.
What are the key properties of [4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine?
[4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine has a molecular weight of 280.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 114592435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).