5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine

C18H27N — CID 55180393

IUPAC5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine
SMILESC#CCC(NCCC)C(CC)(CC)c1ccccc1
InChIInChI=1S/C18H27N/c1-5-12-17(19-15-6-2)18(7-3,8-4)16-13-10-9-11-14-16/h1,9-11,13-14,17,19H,6-8,12,15H2,2-4H3
InChIKeyLIINARHNXXJTAB-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.14
Rot. Bonds8

About 5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine

5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine (PubChem CID 55180393) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine.

Molecular Properties

Compound Name5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine
PubChem CID55180393
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine
SMILESC#CCC(NCCC)C(CC)(CC)c1ccccc1
InChIInChI=1S/C18H27N/c1-5-12-17(19-15-6-2)18(7-3,8-4)16-13-10-9-11-14-16/h1,9-11,13-14,17,19H,6-8,12,15H2,2-4H3
InChIKeyLIINARHNXXJTAB-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.14
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

3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine
CID 63644186
5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
CID 63417732
1,1-diphenyl-N-propylpent-4-yn-2-amine
CID 62233521
1-phenoxy-N-propylpent-4-yn-2-amine
CID 62717059
N,3-diethyl-7-methyl-3-phenyloctan-4-amine
CID 63417594
N,3-diethyl-1-methoxy-3-phenylpentan-2-amine
CID 79575431
1-(2,3-dihydrofuran-5-yl)-2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 102651516
1-cyclopropyl-N,3-diethyl-3-phenylpentan-2-amine
CID 64903846
N-propyl-1-quinolin-2-ylbut-3-yn-1-amine
CID 63222640
2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
CID 83162206
N,5-diethyl-1-methoxy-5-phenylheptan-4-amine
CID 115608699
4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
CID 79059352

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine?
The IUPAC name of 5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine (CID 55180393) is 5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine.
What is the SMILES notation for 5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine?
The canonical SMILES for 5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine is C#CCC(NCCC)C(CC)(CC)c1ccccc1.
What is the InChIKey of 5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine?
The InChIKey is LIINARHNXXJTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-5-12-17(19-15-6-2)18(7-3,8-4)16-13-10-9-11-14-16/h1,9-11,13-14,17,19H,6-8,12,15H2,2-4H3.
What are the key properties of 5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine?
5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine has a molecular weight of 257.42 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine is sourced from PubChem (CID 55180393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).