1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine

C16H30N2 — CID 64625242

IUPAC1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1C1CCCC(C2CC2)C1
InChIInChI=1S/C16H30N2/c1-17-12-16-6-2-3-10-18(16)15-7-4-5-14(11-15)13-8-9-13/h13-17H,2-12H2,1H3
InChIKeyQHMGCRCGBIMOGP-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds4

About 1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine

1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine (PubChem CID 64625242) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine
PubChem CID64625242
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1C1CCCC(C2CC2)C1
InChIInChI=1S/C16H30N2/c1-17-12-16-6-2-3-10-18(16)15-7-4-5-14(11-15)13-8-9-13/h13-17H,2-12H2,1H3
InChIKeyQHMGCRCGBIMOGP-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine (CID 64625242) is 1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1C1CCCC(C2CC2)C1.
What is the InChIKey of 1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine?
The InChIKey is QHMGCRCGBIMOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-17-12-16-6-2-3-10-18(16)15-7-4-5-14(11-15)13-8-9-13/h13-17H,2-12H2,1H3.
What are the key properties of 1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine?
1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 64625242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).