4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine

C14H19N — CID 139494263

IUPAC4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine
SMILESC#Cc1ccc(CCCCN(C)C)cc1
InChIInChI=1S/C14H19N/c1-4-13-8-10-14(11-9-13)7-5-6-12-15(2)3/h1,8-11H,5-7,12H2,2-3H3
InChIKeyPXAFEGQKOFVUGC-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.55
Rot. Bonds5

About 4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine

4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine (PubChem CID 139494263) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine
PubChem CID139494263
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine
SMILESC#Cc1ccc(CCCCN(C)C)cc1
InChIInChI=1S/C14H19N/c1-4-13-8-10-14(11-9-13)7-5-6-12-15(2)3/h1,8-11H,5-7,12H2,2-3H3
InChIKeyPXAFEGQKOFVUGC-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.55
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

1-butyl-4-ethynylbenzene;ethane
CID 144704471
1-ethynyl-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 86053598
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
3-(4-ethynylphenyl)propan-1-ol
CID 90436112
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
[4-[4-(dimethylamino)butyl]phenyl]boronic acid
CID 71307608
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
CID 178066852
2,5-bis[4-(dimethylamino)butyl]aniline
CID 19907339
4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
CID 117314930
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine (CID 139494263) is 4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine is C#Cc1ccc(CCCCN(C)C)cc1.
What is the InChIKey of 4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine?
The InChIKey is PXAFEGQKOFVUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-4-13-8-10-14(11-9-13)7-5-6-12-15(2)3/h1,8-11H,5-7,12H2,2-3H3.
What are the key properties of 4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine?
4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 139494263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).