(2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine

C15H30N2 — CID 97231847

IUPAC(2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine
SMILESCC(C)=CCC[C@@H](C)NC[C@@H]1CCCN(C)C1
InChIInChI=1S/C15H30N2/c1-13(2)7-5-8-14(3)16-11-15-9-6-10-17(4)12-15/h7,14-16H,5-6,8-12H2,1-4H3/t14-,15+/m1/s1
InChIKeyQPQPDUWDJCBJBP-CABCVRRESA-N
MW238.42 g/mol
LogP3.05
Rot. Bonds6

About (2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine

(2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine (PubChem CID 97231847) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is (2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine.

Molecular Properties

Compound Name(2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine
PubChem CID97231847
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name(2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine
SMILESCC(C)=CCC[C@@H](C)NC[C@@H]1CCCN(C)C1
InChIInChI=1S/C15H30N2/c1-13(2)7-5-8-14(3)16-11-15-9-6-10-17(4)12-15/h7,14-16H,5-6,8-12H2,1-4H3/t14-,15+/m1/s1
InChIKeyQPQPDUWDJCBJBP-CABCVRRESA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol
CID 75428345
(2S)-N-[(1,1-dioxothian-4-yl)methyl]-6-methylhept-5-en-2-amine
CID 39782154
1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine
CID 62658319
N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79538653
2-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 130204020
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine
CID 103522776
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
CID 104980416
1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol
CID 131903414
tert-butyl 2-[2-[(1-methylpiperidin-3-yl)methylamino]propyl]piperidine-1-carboxylate
CID 113248692
1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 55099655
(3R)-3-(cyclopentylmethylamino)butan-1-ol
CID 103923917

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine?
The IUPAC name of (2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine (CID 97231847) is (2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine.
What is the SMILES notation for (2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine?
The canonical SMILES for (2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine is CC(C)=CCC[C@@H](C)NC[C@@H]1CCCN(C)C1.
What is the InChIKey of (2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine?
The InChIKey is QPQPDUWDJCBJBP-CABCVRRESA-N. The full InChI is InChI=1S/C15H30N2/c1-13(2)7-5-8-14(3)16-11-15-9-6-10-17(4)12-15/h7,14-16H,5-6,8-12H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of (2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine?
(2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine has a molecular weight of 238.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine is sourced from PubChem (CID 97231847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).