(3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine

C18H21N — CID 10911987

IUPAC(3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine
SMILESC=C[C@@H](NCc1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C18H21N/c1-3-18(15(2)17-12-8-5-9-13-17)19-14-16-10-6-4-7-11-16/h3-13,15,18-19H,1,14H2,2H3/t15-,18-/m1/s1
InChIKeyXDMVRRFDUYVEOR-CRAIPNDOSA-N
MW251.37 g/mol
LogP4.13
Rot. Bonds6

About (3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine

(3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine (PubChem CID 10911987) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine.

Molecular Properties

Compound Name(3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine
PubChem CID10911987
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine
SMILESC=C[C@@H](NCc1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C18H21N/c1-3-18(15(2)17-12-8-5-9-13-17)19-14-16-10-6-4-7-11-16/h3-13,15,18-19H,1,14H2,2H3/t15-,18-/m1/s1
InChIKeyXDMVRRFDUYVEOR-CRAIPNDOSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.13
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

(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
CID 10755680
(2S)-2-(benzylamino)-3-phenylbutanoic acid
CID 141046976
1-N'-benzylprop-2-ene-1,1-diamine
CID 67413433
(2R,3R)-2-(benzylamino)-3-methylpent-4-enoic acid
CID 124634030
(4E)-N-benzylhexa-1,4-dien-3-amine
CID 11513891
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
N-benzyl-2-methylidene-1-phenylbut-3-en-1-amine
CID 87483808
N-benzyl-1-silylethanamine
CID 173405128

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine?
The IUPAC name of (3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine (CID 10911987) is (3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine.
What is the SMILES notation for (3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine?
The canonical SMILES for (3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine is C=C[C@@H](NCc1ccccc1)[C@H](C)c1ccccc1.
What is the InChIKey of (3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine?
The InChIKey is XDMVRRFDUYVEOR-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H21N/c1-3-18(15(2)17-12-8-5-9-13-17)19-14-16-10-6-4-7-11-16/h3-13,15,18-19H,1,14H2,2H3/t15-,18-/m1/s1.
What are the key properties of (3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine?
(3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine has a molecular weight of 251.37 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine is sourced from PubChem (CID 10911987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).