N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine

C16H23N — CID 104995781

IUPACN-ethyl-5-methyl-4-phenylhept-1-yn-3-amine
SMILESC#CC(NCC)C(c1ccccc1)C(C)CC
InChIInChI=1S/C16H23N/c1-5-13(4)16(15(6-2)17-7-3)14-11-9-8-10-12-14/h2,8-13,15-17H,5,7H2,1,3-4H3
InChIKeyWMVGUVSMOREDQU-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.43
Rot. Bonds6

About N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine

N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine (PubChem CID 104995781) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-phenylhept-1-yn-3-amine
PubChem CID104995781
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-ethyl-5-methyl-4-phenylhept-1-yn-3-amine
SMILESC#CC(NCC)C(c1ccccc1)C(C)CC
InChIInChI=1S/C16H23N/c1-5-13(4)16(15(6-2)17-7-3)14-11-9-8-10-12-14/h2,8-13,15-17H,5,7H2,1,3-4H3
InChIKeyWMVGUVSMOREDQU-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine
CID 115854389
6-methyl-5-phenyloct-1-yn-4-ol
CID 115839991
N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine
CID 115846349
N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine
CID 43490571
N-ethyl-7-methyl-6-phenylnon-1-en-5-amine
CID 104987637
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 105029498
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 43493378
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
1-(furan-2-yl)-3-methyl-2-phenylpentan-1-ol
CID 115797403

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine?
The IUPAC name of N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine (CID 104995781) is N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine.
What is the SMILES notation for N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine?
The canonical SMILES for N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine is C#CC(NCC)C(c1ccccc1)C(C)CC.
What is the InChIKey of N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine?
The InChIKey is WMVGUVSMOREDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-5-13(4)16(15(6-2)17-7-3)14-11-9-8-10-12-14/h2,8-13,15-17H,5,7H2,1,3-4H3.
What are the key properties of N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine?
N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine has a molecular weight of 229.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine is sourced from PubChem (CID 104995781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).