(3S)-N-methyl-3-phenylpent-4-en-1-amine

C12H17N — CID 143676843

IUPAC(3S)-N-methyl-3-phenylpent-4-en-1-amine
SMILESC=C[C@H](CCNC)c1ccccc1
InChIInChI=1S/C12H17N/c1-3-11(9-10-13-2)12-7-5-4-6-8-12/h3-8,11,13H,1,9-10H2,2H3/t11-/m1/s1
InChIKeyUQSNMNHKIGXMIM-LLVKDONJSA-N
MW175.27 g/mol
LogP2.57
Rot. Bonds5

About (3S)-N-methyl-3-phenylpent-4-en-1-amine

(3S)-N-methyl-3-phenylpent-4-en-1-amine (PubChem CID 143676843) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (3S)-N-methyl-3-phenylpent-4-en-1-amine.

Molecular Properties

Compound Name(3S)-N-methyl-3-phenylpent-4-en-1-amine
PubChem CID143676843
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(3S)-N-methyl-3-phenylpent-4-en-1-amine
SMILESC=C[C@H](CCNC)c1ccccc1
InChIInChI=1S/C12H17N/c1-3-11(9-10-13-2)12-7-5-4-6-8-12/h3-8,11,13H,1,9-10H2,2H3/t11-/m1/s1
InChIKeyUQSNMNHKIGXMIM-LLVKDONJSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
5-phenylhepta-1,6-dien-3-amine
CID 21390037
2-phenylbut-3-en-1-amine;hydrochloride
CID 23037991
ethane;N-methyl-3-phenylpentan-1-amine
CID 165125181
4-phenylhex-5-enoate
CID 140706037
ethane;N-methyl-4,4-diphenylbutan-1-amine
CID 142989405
6-phenyloct-7-enoic acid
CID 118941596
methyl (3S)-3-phenylpent-4-enoate
CID 10511884
N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 12807459
3-phenylpent-4-enenitrile
CID 14767512
triphenyl(2-phenylbut-3-enyl)stannane
CID 67812779

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-phenylpent-4-en-1-amine?
The IUPAC name of (3S)-N-methyl-3-phenylpent-4-en-1-amine (CID 143676843) is (3S)-N-methyl-3-phenylpent-4-en-1-amine.
What is the SMILES notation for (3S)-N-methyl-3-phenylpent-4-en-1-amine?
The canonical SMILES for (3S)-N-methyl-3-phenylpent-4-en-1-amine is C=C[C@H](CCNC)c1ccccc1.
What is the InChIKey of (3S)-N-methyl-3-phenylpent-4-en-1-amine?
The InChIKey is UQSNMNHKIGXMIM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17N/c1-3-11(9-10-13-2)12-7-5-4-6-8-12/h3-8,11,13H,1,9-10H2,2H3/t11-/m1/s1.
What are the key properties of (3S)-N-methyl-3-phenylpent-4-en-1-amine?
(3S)-N-methyl-3-phenylpent-4-en-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-phenylpent-4-en-1-amine is sourced from PubChem (CID 143676843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).