(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine

C13H19N — CID 129395248

IUPAC(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
SMILESC=CC[C@H](Cc1ccccc1)N(C)C
InChIInChI=1S/C13H19N/c1-4-8-13(14(2)3)11-12-9-6-5-7-10-12/h4-7,9-10,13H,1,8,11H2,2-3H3/t13-/m1/s1
InChIKeyPHJRLQHILGDTCG-CYBMUJFWSA-N
MW189.30 g/mol
LogP2.74
Rot. Bonds5

About (2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine

(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine (PubChem CID 129395248) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
PubChem CID129395248
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
SMILESC=CC[C@H](Cc1ccccc1)N(C)C
InChIInChI=1S/C13H19N/c1-4-8-13(14(2)3)11-12-9-6-5-7-10-12/h4-7,9-10,13H,1,8,11H2,2-3H3/t13-/m1/s1
InChIKeyPHJRLQHILGDTCG-CYBMUJFWSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol
CID 67671911
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
N,N-dimethyl-1-phenyltricosan-2-amine
CID 18949477
2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110981952
N-[(2R)-1-phenylpent-4-en-2-yl]propan-2-imine
CID 125466288
N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine
CID 167219083
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine?
The IUPAC name of (2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine (CID 129395248) is (2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine.
What is the SMILES notation for (2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine?
The canonical SMILES for (2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine is C=CC[C@H](Cc1ccccc1)N(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine?
The InChIKey is PHJRLQHILGDTCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N/c1-4-8-13(14(2)3)11-12-9-6-5-7-10-12/h4-7,9-10,13H,1,8,11H2,2-3H3/t13-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine?
(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine has a molecular weight of 189.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine is sourced from PubChem (CID 129395248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).