3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine

C19H29N — CID 63644186

IUPAC3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine
SMILESC#CCCC(NCCC)C(CC)(CC)c1ccccc1
InChIInChI=1S/C19H29N/c1-5-9-15-18(20-16-6-2)19(7-3,8-4)17-13-11-10-12-14-17/h1,10-14,18,20H,6-9,15-16H2,2-4H3
InChIKeyYVMMRXGIEQADFO-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.53
Rot. Bonds9

About 3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine

3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine (PubChem CID 63644186) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine.

Molecular Properties

Compound Name3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine
PubChem CID63644186
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine
SMILESC#CCCC(NCCC)C(CC)(CC)c1ccccc1
InChIInChI=1S/C19H29N/c1-5-9-15-18(20-16-6-2)19(7-3,8-4)17-13-11-10-12-14-17/h1,10-14,18,20H,6-9,15-16H2,2-4H3
InChIKeyYVMMRXGIEQADFO-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.53
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

5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine
CID 55180393
5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
CID 63417732
3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine
CID 79061768
N,3-diethyl-7-methyl-3-phenyloctan-4-amine
CID 63417594
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
N,5-diethyl-1-methoxy-5-phenylheptan-4-amine
CID 115608699
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
CID 83162206
N,3-diethyl-1-methoxy-3-phenylpentan-2-amine
CID 79575431
4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
CID 79059352
1,1,1-trifluoro-N-propylhept-6-yn-2-amine
CID 105033987
2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 107897390

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine?
The IUPAC name of 3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine (CID 63644186) is 3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine.
What is the SMILES notation for 3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine?
The canonical SMILES for 3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine is C#CCCC(NCCC)C(CC)(CC)c1ccccc1.
What is the InChIKey of 3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine?
The InChIKey is YVMMRXGIEQADFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-5-9-15-18(20-16-6-2)19(7-3,8-4)17-13-11-10-12-14-17/h1,10-14,18,20H,6-9,15-16H2,2-4H3.
What are the key properties of 3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine?
3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine has a molecular weight of 271.45 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine is sourced from PubChem (CID 63644186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).