(3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine

C15H23N — CID 134858185

IUPAC(3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine
SMILESC=C[C@H](C)[C@@H](CC)N[C@H](C)c1ccccc1
InChIInChI=1S/C15H23N/c1-5-12(3)15(6-2)16-13(4)14-10-8-7-9-11-14/h5,7-13,15-16H,1,6H2,2-4H3/t12-,13+,15+/m0/s1
InChIKeyODZFZFCGDYEXKK-GZBFAFLISA-N
MW217.36 g/mol
LogP3.94
Rot. Bonds6

About (3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine

(3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine (PubChem CID 134858185) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine
PubChem CID134858185
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine
SMILESC=C[C@H](C)[C@@H](CC)N[C@H](C)c1ccccc1
InChIInChI=1S/C15H23N/c1-5-12(3)15(6-2)16-13(4)14-10-8-7-9-11-14/h5,7-13,15-16H,1,6H2,2-4H3/t12-,13+,15+/m0/s1
InChIKeyODZFZFCGDYEXKK-GZBFAFLISA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.94
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

(3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine
CID 58952994
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
(4R,5R)-3,6-bis(ethenyl)-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine
CID 15525887
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493
1-(4-fluorophenyl)-1-N,2-N-bis(1-phenylethyl)butane-1,2-diamine
CID 78159070
3-ethyl-N-(1-phenylethyl)pentan-2-amine
CID 63843790
(4R,5R)-2,7-dimethyl-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine
CID 101057436
3-(1-phenylethylamino)pent-4-enenitrile
CID 67324977
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
(2S,3R)-3-(1-phenylethylamino)butane-1,2,4-triol
CID 70991072
[(3R,4R)-5-phenyl-4-[[(1R)-1-phenylethyl]amino]pent-1-en-3-yl] acetate
CID 11484132

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine?
The IUPAC name of (3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine (CID 134858185) is (3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine.
What is the SMILES notation for (3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine?
The canonical SMILES for (3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine is C=C[C@H](C)[C@@H](CC)N[C@H](C)c1ccccc1.
What is the InChIKey of (3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine?
The InChIKey is ODZFZFCGDYEXKK-GZBFAFLISA-N. The full InChI is InChI=1S/C15H23N/c1-5-12(3)15(6-2)16-13(4)14-10-8-7-9-11-14/h5,7-13,15-16H,1,6H2,2-4H3/t12-,13+,15+/m0/s1.
What are the key properties of (3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine?
(3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine has a molecular weight of 217.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine is sourced from PubChem (CID 134858185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).