N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline

C14H19N — CID 146003218

IUPACN,N-dimethyl-4-(4-methylpent-1-ynyl)aniline
SMILESCC(C)CC#Cc1ccc(N(C)C)cc1
InChIInChI=1S/C14H19N/c1-12(2)6-5-7-13-8-10-14(11-9-13)15(3)4/h8-12H,6H2,1-4H3
InChIKeyCRPYFUQBMAHZKZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.15
Rot. Bonds2

About N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline

N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline (PubChem CID 146003218) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-methylpent-1-ynyl)aniline
PubChem CID146003218
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN,N-dimethyl-4-(4-methylpent-1-ynyl)aniline
SMILESCC(C)CC#Cc1ccc(N(C)C)cc1
InChIInChI=1S/C14H19N/c1-12(2)6-5-7-13-8-10-14(11-9-13)15(3)4/h8-12H,6H2,1-4H3
InChIKeyCRPYFUQBMAHZKZ-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromoprop-1-ynyl)-N,N-dimethylaniline
CID 130055868
3-[4-(dimethylamino)phenyl]prop-2-yne-1-thiol
CID 169486585
4-methylpent-1-ynylbenzene
CID 12861410
4-(2-bromoethynyl)-N,N-dimethylaniline
CID 86205951
N,N-dimethyl-4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]aniline
CID 102353310
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide
CID 90551907
tert-butyl N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]carbamate
CID 90552009
1-tert-butyl-3-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]urea
CID 90554279
N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide
CID 59704817
4-[8-[2-[4-(dimethylamino)phenyl]ethynyl]-9-methyl-3-propan-2-ylidenedec-8-en-1,4,6-triynyl]-N,N-dimethylaniline
CID 101132610
5-(4-methylpent-1-ynyl)pyrimidin-2-amine
CID 171507275
4-[2-[4-[2-[4-(dimethylamino)phenyl]ethynyl]naphthalen-1-yl]ethynyl]-N,N-dimethylaniline
CID 131997733

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline?
The IUPAC name of N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline (CID 146003218) is N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline is CC(C)CC#Cc1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline?
The InChIKey is CRPYFUQBMAHZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-12(2)6-5-7-13-8-10-14(11-9-13)15(3)4/h8-12H,6H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline?
N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline has a molecular weight of 201.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline is sourced from PubChem (CID 146003218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).