(3S,4R)-3-methyl-4-phenylhept-1-en-4-amine

C14H21N — CID 101191309

IUPAC(3S,4R)-3-methyl-4-phenylhept-1-en-4-amine
SMILESC=C[C@H](C)[C@](N)(CCC)c1ccccc1
InChIInChI=1S/C14H21N/c1-4-11-14(15,12(3)5-2)13-9-7-6-8-10-13/h5-10,12H,2,4,11,15H2,1,3H3/t12-,14+/m0/s1
InChIKeyYZXGIPYUUJIKLJ-GXTWGEPZSA-N
MW203.33 g/mol
LogP3.46
Rot. Bonds5

About (3S,4R)-3-methyl-4-phenylhept-1-en-4-amine

(3S,4R)-3-methyl-4-phenylhept-1-en-4-amine (PubChem CID 101191309) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3S,4R)-3-methyl-4-phenylhept-1-en-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methyl-4-phenylhept-1-en-4-amine
PubChem CID101191309
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3S,4R)-3-methyl-4-phenylhept-1-en-4-amine
SMILESC=C[C@H](C)[C@](N)(CCC)c1ccccc1
InChIInChI=1S/C14H21N/c1-4-11-14(15,12(3)5-2)13-9-7-6-8-10-13/h5-10,12H,2,4,11,15H2,1,3H3/t12-,14+/m0/s1
InChIKeyYZXGIPYUUJIKLJ-GXTWGEPZSA-N
XLogP3.46
TPSA26.02 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 ≤ 53.46
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

2,4-dimethyl-3-phenylhex-5-en-3-amine
CID 10679669
(3R)-2-methyl-3-phenylheptan-3-amine
CID 53487426
2-hydroxy-3-methyl-2-phenylpent-4-enoic acid
CID 13026557
3-phenylhexan-3-amine
CID 60794511
1-chloro-1-phenylbutan-1-amine
CID 174514762
1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine
CID 43829754
4-propylhept-1-en-4-ylbenzene
CID 123221616
2-amino-3-methyl-2-phenylbutan-1-ol
CID 61056437
2-amino-3-methyl-2-propylpent-4-enoic acid
CID 11062857
1,1-diphenylpentan-1-amine
CID 10263654
2-amino-2-phenylpentan-1-ol
CID 61056433
4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine
CID 43829669

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyl-4-phenylhept-1-en-4-amine?
The IUPAC name of (3S,4R)-3-methyl-4-phenylhept-1-en-4-amine (CID 101191309) is (3S,4R)-3-methyl-4-phenylhept-1-en-4-amine.
What is the SMILES notation for (3S,4R)-3-methyl-4-phenylhept-1-en-4-amine?
The canonical SMILES for (3S,4R)-3-methyl-4-phenylhept-1-en-4-amine is C=C[C@H](C)[C@](N)(CCC)c1ccccc1.
What is the InChIKey of (3S,4R)-3-methyl-4-phenylhept-1-en-4-amine?
The InChIKey is YZXGIPYUUJIKLJ-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H21N/c1-4-11-14(15,12(3)5-2)13-9-7-6-8-10-13/h5-10,12H,2,4,11,15H2,1,3H3/t12-,14+/m0/s1.
What are the key properties of (3S,4R)-3-methyl-4-phenylhept-1-en-4-amine?
(3S,4R)-3-methyl-4-phenylhept-1-en-4-amine has a molecular weight of 203.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methyl-4-phenylhept-1-en-4-amine is sourced from PubChem (CID 101191309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).