3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine

C19H38N2 — CID 170371152

IUPAC3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCC(CCCCCC(C)C)CC1)NC(C)C
InChIInChI=1S/C19H38N2/c1-16(2)9-7-6-8-10-19-11-13-21(14-12-19)15-18(5)20-17(3)4/h16-17,19-20H,5-15H2,1-4H3
InChIKeyWFVUOSIYJNDRPJ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.82
Rot. Bonds10

About 3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine

3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine (PubChem CID 170371152) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
PubChem CID170371152
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCC(CCCCCC(C)C)CC1)NC(C)C
InChIInChI=1S/C19H38N2/c1-16(2)9-7-6-8-10-19-11-13-21(14-12-19)15-18(5)20-17(3)4/h16-17,19-20H,5-15H2,1-4H3
InChIKeyWFVUOSIYJNDRPJ-UHFFFAOYSA-N
XLogP4.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569223
3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane
CID 170569254
3-[4-(5-methylhexyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569295
3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569319
3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine;ethane
CID 170569354
3-[4-fluoro-4-(5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569417
3-[3,3-difluoro-4-(5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569488
3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine
CID 170569355
(3R)-N-(1-cyclopentylethyl)-2-(3,3-dimethylpiperidin-1-yl)-5-methylhex-1-en-3-amine
CID 68097662
N-(1-cyclopentylethyl)-2-(3,3-dimethylpiperidin-1-yl)prop-2-en-1-amine
CID 68099764
(1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine
CID 70299271
(1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine
CID 70301730

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
The IUPAC name of 3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine (CID 170371152) is 3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine.
What is the SMILES notation for 3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
The canonical SMILES for 3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine is C=C(CN1CCC(CCCCCC(C)C)CC1)NC(C)C.
What is the InChIKey of 3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
The InChIKey is WFVUOSIYJNDRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-16(2)9-7-6-8-10-19-11-13-21(14-12-19)15-18(5)20-17(3)4/h16-17,19-20H,5-15H2,1-4H3.
What are the key properties of 3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine has a molecular weight of 294.53 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine is sourced from PubChem (CID 170371152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).