(Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine

C14H21N — CID 102078322

IUPAC(Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine
SMILESCC(C)/C=C\CN[C@@H](C)c1ccccc1
InChIInChI=1S/C14H21N/c1-12(2)8-7-11-15-13(3)14-9-5-4-6-10-14/h4-10,12-13,15H,11H2,1-3H3/b8-7-/t13-/m0/s1
InChIKeyJBXTWQARYUMZCS-WSROAFLRSA-N
MW203.33 g/mol
LogP3.55
Rot. Bonds5

About (Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine

(Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine (PubChem CID 102078322) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine
PubChem CID102078322
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine
SMILESCC(C)/C=C\CN[C@@H](C)c1ccccc1
InChIInChI=1S/C14H21N/c1-12(2)8-7-11-15-13(3)14-9-5-4-6-10-14/h4-10,12-13,15H,11H2,1-3H3/b8-7-/t13-/m0/s1
InChIKeyJBXTWQARYUMZCS-WSROAFLRSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.55
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

(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
2-[[(1S)-1-phenylethyl]amino]acetaldehyde
CID 173253392
(E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 73334860
(E)-N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 73336131
N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 123802706
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine
CID 107899124
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine?
The IUPAC name of (Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine (CID 102078322) is (Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine.
What is the SMILES notation for (Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine?
The canonical SMILES for (Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine is CC(C)/C=C\CN[C@@H](C)c1ccccc1.
What is the InChIKey of (Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine?
The InChIKey is JBXTWQARYUMZCS-WSROAFLRSA-N. The full InChI is InChI=1S/C14H21N/c1-12(2)8-7-11-15-13(3)14-9-5-4-6-10-14/h4-10,12-13,15H,11H2,1-3H3/b8-7-/t13-/m0/s1.
What are the key properties of (Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine?
(Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine is sourced from PubChem (CID 102078322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).