N-ethyl-5-methylidene-1-phenylheptan-3-amine

C16H25N — CID 66038507

IUPACN-ethyl-5-methylidene-1-phenylheptan-3-amine
SMILESC=C(CC)CC(CCc1ccccc1)NCC
InChIInChI=1S/C16H25N/c1-4-14(3)13-16(17-5-2)12-11-15-9-7-6-8-10-15/h6-10,16-17H,3-5,11-13H2,1-2H3
InChIKeyJEEXCRFJCYGVPM-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.95
Rot. Bonds8

About N-ethyl-5-methylidene-1-phenylheptan-3-amine

N-ethyl-5-methylidene-1-phenylheptan-3-amine (PubChem CID 66038507) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-ethyl-5-methylidene-1-phenylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methylidene-1-phenylheptan-3-amine
PubChem CID66038507
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-ethyl-5-methylidene-1-phenylheptan-3-amine
SMILESC=C(CC)CC(CCc1ccccc1)NCC
InChIInChI=1S/C16H25N/c1-4-14(3)13-16(17-5-2)12-11-15-9-7-6-8-10-15/h6-10,16-17H,3-5,11-13H2,1-2H3
InChIKeyJEEXCRFJCYGVPM-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.95
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

N-ethyl-5-methyl-1-phenylhex-5-en-3-amine
CID 79179781
1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine
CID 105005908
N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
CID 64566807
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine
CID 66044344
1-ethoxy-N-ethyl-5-methylideneheptan-3-amine
CID 105164131
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-amine
CID 79732693
2-methylidenebutylbenzene
CID 10964655
1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66036851
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methylidene-1-phenylheptan-3-amine?
The IUPAC name of N-ethyl-5-methylidene-1-phenylheptan-3-amine (CID 66038507) is N-ethyl-5-methylidene-1-phenylheptan-3-amine.
What is the SMILES notation for N-ethyl-5-methylidene-1-phenylheptan-3-amine?
The canonical SMILES for N-ethyl-5-methylidene-1-phenylheptan-3-amine is C=C(CC)CC(CCc1ccccc1)NCC.
What is the InChIKey of N-ethyl-5-methylidene-1-phenylheptan-3-amine?
The InChIKey is JEEXCRFJCYGVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-14(3)13-16(17-5-2)12-11-15-9-7-6-8-10-15/h6-10,16-17H,3-5,11-13H2,1-2H3.
What are the key properties of N-ethyl-5-methylidene-1-phenylheptan-3-amine?
N-ethyl-5-methylidene-1-phenylheptan-3-amine has a molecular weight of 231.38 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methylidene-1-phenylheptan-3-amine is sourced from PubChem (CID 66038507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).