N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine

C16H23N — CID 116642928

IUPACN-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCNC(C)c1ccc(CCC)cc1
InChIInChI=1S/C16H23N/c1-4-6-7-13-17-14(3)16-11-9-15(8-5-2)10-12-16/h9-12,14,17H,5,7-8,13H2,1-3H3
InChIKeyKGCYLTQVSJYOBK-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.70
Rot. Bonds6

About N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine

N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine (PubChem CID 116642928) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine
PubChem CID116642928
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCNC(C)c1ccc(CCC)cc1
InChIInChI=1S/C16H23N/c1-4-6-7-13-17-14(3)16-11-9-15(8-5-2)10-12-16/h9-12,14,17H,5,7-8,13H2,1-3H3
InChIKeyKGCYLTQVSJYOBK-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine
CID 104807307
N-[(1S)-1-pyridin-4-ylethyl]pent-3-yn-1-amine
CID 104807399
N-[1-(3,5-dimethylphenyl)ethyl]pent-3-yn-1-amine
CID 104758095
N-[1-[4-(difluoromethoxy)phenyl]ethyl]pent-3-yn-1-amine
CID 104758071
N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine
CID 115718883
3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43102654
1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 106426162
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 106040066
3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 54905763

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine?
The IUPAC name of N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine (CID 116642928) is N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine?
The canonical SMILES for N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine is CC#CCCNC(C)c1ccc(CCC)cc1.
What is the InChIKey of N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine?
The InChIKey is KGCYLTQVSJYOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-6-7-13-17-14(3)16-11-9-15(8-5-2)10-12-16/h9-12,14,17H,5,7-8,13H2,1-3H3.
What are the key properties of N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine?
N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine is sourced from PubChem (CID 116642928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).