N,2,4-trimethyl-N-pent-4-ynylaniline

C14H19N — CID 115872858

IUPACN,2,4-trimethyl-N-pent-4-ynylaniline
SMILESC#CCCCN(C)c1ccc(C)cc1C
InChIInChI=1S/C14H19N/c1-5-6-7-10-15(4)14-9-8-12(2)11-13(14)3/h1,8-9,11H,6-7,10H2,2-4H3
InChIKeyFGHRZVYHEUORIE-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.15
Rot. Bonds4

About N,2,4-trimethyl-N-pent-4-ynylaniline

N,2,4-trimethyl-N-pent-4-ynylaniline (PubChem CID 115872858) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N,2,4-trimethyl-N-pent-4-ynylaniline.

Molecular Properties

Compound NameN,2,4-trimethyl-N-pent-4-ynylaniline
PubChem CID115872858
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN,2,4-trimethyl-N-pent-4-ynylaniline
SMILESC#CCCCN(C)c1ccc(C)cc1C
InChIInChI=1S/C14H19N/c1-5-6-7-10-15(4)14-9-8-12(2)11-13(14)3/h1,8-9,11H,6-7,10H2,2-4H3
InChIKeyFGHRZVYHEUORIE-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
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

2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile
CID 106803450
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445
N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434960
2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol
CID 106808963
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
N-butyl-N,4-dimethyl-2-trimethylsilylaniline
CID 13156668
N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63504265
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile
CID 107927497
N,2,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
CID 130492719
N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 55089398
1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493532

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-pent-4-ynylaniline?
The IUPAC name of N,2,4-trimethyl-N-pent-4-ynylaniline (CID 115872858) is N,2,4-trimethyl-N-pent-4-ynylaniline.
What is the SMILES notation for N,2,4-trimethyl-N-pent-4-ynylaniline?
The canonical SMILES for N,2,4-trimethyl-N-pent-4-ynylaniline is C#CCCCN(C)c1ccc(C)cc1C.
What is the InChIKey of N,2,4-trimethyl-N-pent-4-ynylaniline?
The InChIKey is FGHRZVYHEUORIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-5-6-7-10-15(4)14-9-8-12(2)11-13(14)3/h1,8-9,11H,6-7,10H2,2-4H3.
What are the key properties of N,2,4-trimethyl-N-pent-4-ynylaniline?
N,2,4-trimethyl-N-pent-4-ynylaniline has a molecular weight of 201.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-pent-4-ynylaniline is sourced from PubChem (CID 115872858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).