(1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine

C15H28N2 — CID 70301730

IUPAC(1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine
SMILESC=C([C@@H](NC)C1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H28N2/c1-13(17-11-7-4-8-12-17)15(16-2)14-9-5-3-6-10-14/h14-16H,1,3-12H2,2H3/t15-/m1/s1
InChIKeyGQRMFSFJUBBTQJ-OAHLLOKOSA-N
MW236.40 g/mol
LogP3.15
Rot. Bonds4

About (1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine

(1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine (PubChem CID 70301730) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine
PubChem CID70301730
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine
SMILESC=C([C@@H](NC)C1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H28N2/c1-13(17-11-7-4-8-12-17)15(16-2)14-9-5-3-6-10-14/h14-16H,1,3-12H2,2H3/t15-/m1/s1
InChIKeyGQRMFSFJUBBTQJ-OAHLLOKOSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine?
The IUPAC name of (1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine (CID 70301730) is (1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine?
The canonical SMILES for (1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine is C=C([C@@H](NC)C1CCCCC1)N1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine?
The InChIKey is GQRMFSFJUBBTQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H28N2/c1-13(17-11-7-4-8-12-17)15(16-2)14-9-5-3-6-10-14/h14-16H,1,3-12H2,2H3/t15-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine?
(1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine has a molecular weight of 236.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine is sourced from PubChem (CID 70301730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).