N,N,3-triethyl-1-phenylpent-1-yn-3-amine

C17H25N — CID 11322491

IUPACN,N,3-triethyl-1-phenylpent-1-yn-3-amine
SMILESCCN(CC)C(C#Cc1ccccc1)(CC)CC
InChIInChI=1S/C17H25N/c1-5-17(6-2,18(7-3)8-4)15-14-16-12-10-9-11-13-16/h9-13H,5-8H2,1-4H3
InChIKeyAFNBCNFNSBFWSU-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.94
Rot. Bonds5

About N,N,3-triethyl-1-phenylpent-1-yn-3-amine

N,N,3-triethyl-1-phenylpent-1-yn-3-amine (PubChem CID 11322491) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N,N,3-triethyl-1-phenylpent-1-yn-3-amine.

Molecular Properties

Compound NameN,N,3-triethyl-1-phenylpent-1-yn-3-amine
PubChem CID11322491
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN,N,3-triethyl-1-phenylpent-1-yn-3-amine
SMILESCCN(CC)C(C#Cc1ccccc1)(CC)CC
InChIInChI=1S/C17H25N/c1-5-17(6-2,18(7-3)8-4)15-14-16-12-10-9-11-13-16/h9-13H,5-8H2,1-4H3
InChIKeyAFNBCNFNSBFWSU-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-phenylpent-1-yn-3-amine
CID 127003696
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
CID 13399450
(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene
CID 91281470
(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol
CID 163297469
N,N,3-triethylhex-4-yn-3-amine
CID 173345718
(3S)-3-ethyl-1-phenylhept-1-yn-3-ol
CID 7010443
N,N-diethyl-4-phenylbut-3-yn-2-amine
CID 3146070
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
(3-ethyl-1-phenylpent-1-yn-3-yl) methyl carbonate
CID 164887641
N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline
CID 163297447

Frequently Asked Questions

What is the IUPAC name of N,N,3-triethyl-1-phenylpent-1-yn-3-amine?
The IUPAC name of N,N,3-triethyl-1-phenylpent-1-yn-3-amine (CID 11322491) is N,N,3-triethyl-1-phenylpent-1-yn-3-amine.
What is the SMILES notation for N,N,3-triethyl-1-phenylpent-1-yn-3-amine?
The canonical SMILES for N,N,3-triethyl-1-phenylpent-1-yn-3-amine is CCN(CC)C(C#Cc1ccccc1)(CC)CC.
What is the InChIKey of N,N,3-triethyl-1-phenylpent-1-yn-3-amine?
The InChIKey is AFNBCNFNSBFWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-5-17(6-2,18(7-3)8-4)15-14-16-12-10-9-11-13-16/h9-13H,5-8H2,1-4H3.
What are the key properties of N,N,3-triethyl-1-phenylpent-1-yn-3-amine?
N,N,3-triethyl-1-phenylpent-1-yn-3-amine has a molecular weight of 243.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-triethyl-1-phenylpent-1-yn-3-amine is sourced from PubChem (CID 11322491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).