(1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine

C13H19N — CID 143343575

IUPAC(1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
SMILESC=C/C=C\C1=C(/C=C\C)CC[C@@H]1NC
InChIInChI=1S/C13H19N/c1-4-6-8-12-11(7-5-2)9-10-13(12)14-3/h4-8,13-14H,1,9-10H2,2-3H3/b7-5-,8-6-/t13-/m0/s1
InChIKeyULKFCGFKLYBHOW-XNSWAYSTSA-N
MW189.30 g/mol
LogP2.98
Rot. Bonds4

About (1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine

(1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine (PubChem CID 143343575) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name(1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
PubChem CID143343575
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
SMILESC=C/C=C\C1=C(/C=C\C)CC[C@@H]1NC
InChIInChI=1S/C13H19N/c1-4-6-8-12-11(7-5-2)9-10-13(12)14-3/h4-8,13-14H,1,9-10H2,2-3H3/b7-5-,8-6-/t13-/m0/s1
InChIKeyULKFCGFKLYBHOW-XNSWAYSTSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine with MolForge

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Related Compounds

(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene
CID 145347236
2-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]cyclohexene
CID 157035791
N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide
CID 143584516
ethane;5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
CID 143342092
6-ethyl-N-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-amine
CID 176564915
8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine
CID 143698493
2-[(1Z)-buta-1,3-dienyl]-3,7-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydroselenepine;ethane;methane
CID 145022161
(2E)-2-[(Z)-but-2-enylidene]-N-methylcyclohexan-1-amine
CID 142040872
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
CID 144706581
ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
CID 143453691
ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine
CID 143757912
3-[(1Z)-buta-1,3-dienyl]-2-methyl-3a,4,5,6,7,7a-hexahydroinden-1-one
CID 167170644

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine?
The IUPAC name of (1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine (CID 143343575) is (1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine.
What is the SMILES notation for (1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine?
The canonical SMILES for (1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine is C=C/C=C\C1=C(/C=C\C)CC[C@@H]1NC.
What is the InChIKey of (1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine?
The InChIKey is ULKFCGFKLYBHOW-XNSWAYSTSA-N. The full InChI is InChI=1S/C13H19N/c1-4-6-8-12-11(7-5-2)9-10-13(12)14-3/h4-8,13-14H,1,9-10H2,2-3H3/b7-5-,8-6-/t13-/m0/s1.
What are the key properties of (1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine?
(1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 143343575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).