(3R)-N-methyl-5-phenylpent-1-en-3-amine

C12H17N — CID 124509710

IUPAC(3R)-N-methyl-5-phenylpent-1-en-3-amine
SMILESC=C[C@@H](CCc1ccccc1)NC
InChIInChI=1S/C12H17N/c1-3-12(13-2)10-9-11-7-5-4-6-8-11/h3-8,12-13H,1,9-10H2,2H3/t12-/m0/s1
InChIKeyIJUQQLXQVGFGSC-LBPRGKRZSA-N
MW175.27 g/mol
LogP2.39
Rot. Bonds5

About (3R)-N-methyl-5-phenylpent-1-en-3-amine

(3R)-N-methyl-5-phenylpent-1-en-3-amine (PubChem CID 124509710) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (3R)-N-methyl-5-phenylpent-1-en-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-5-phenylpent-1-en-3-amine
PubChem CID124509710
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(3R)-N-methyl-5-phenylpent-1-en-3-amine
SMILESC=C[C@@H](CCc1ccccc1)NC
InChIInChI=1S/C12H17N/c1-3-12(13-2)10-9-11-7-5-4-6-8-11/h3-8,12-13H,1,9-10H2,2H3/t12-/m0/s1
InChIKeyIJUQQLXQVGFGSC-LBPRGKRZSA-N
XLogP2.39
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 ≤ 52.39
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-benzyl-5-phenylpent-1-en-3-amine
CID 11402494
2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline
CID 102050162
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
(1R)-1-(methylamino)-3-phenylpropan-1-ol
CID 67675162
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
CID 59877545
CID 59877545
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
5-(4-methylphenyl)pent-1-en-3-ylhydrazine
CID 105317953
ethene;3-methylbutylbenzene
CID 145421013
5-(3-methylphenyl)pent-1-en-3-ylhydrazine
CID 105318126

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-5-phenylpent-1-en-3-amine?
The IUPAC name of (3R)-N-methyl-5-phenylpent-1-en-3-amine (CID 124509710) is (3R)-N-methyl-5-phenylpent-1-en-3-amine.
What is the SMILES notation for (3R)-N-methyl-5-phenylpent-1-en-3-amine?
The canonical SMILES for (3R)-N-methyl-5-phenylpent-1-en-3-amine is C=C[C@@H](CCc1ccccc1)NC.
What is the InChIKey of (3R)-N-methyl-5-phenylpent-1-en-3-amine?
The InChIKey is IJUQQLXQVGFGSC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17N/c1-3-12(13-2)10-9-11-7-5-4-6-8-11/h3-8,12-13H,1,9-10H2,2H3/t12-/m0/s1.
What are the key properties of (3R)-N-methyl-5-phenylpent-1-en-3-amine?
(3R)-N-methyl-5-phenylpent-1-en-3-amine has a molecular weight of 175.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-5-phenylpent-1-en-3-amine is sourced from PubChem (CID 124509710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).