4-(1-aminopent-4-ynyl)-N,N-dimethylaniline

C13H18N2 — CID 105149189

IUPAC4-(1-aminopent-4-ynyl)-N,N-dimethylaniline
SMILESC#CCCC(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H18N2/c1-4-5-6-13(14)11-7-9-12(10-8-11)15(2)3/h1,7-10,13H,5-6,14H2,2-3H3
InChIKeyDCLUWEACWIWLAH-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.17
Rot. Bonds4

About 4-(1-aminopent-4-ynyl)-N,N-dimethylaniline

4-(1-aminopent-4-ynyl)-N,N-dimethylaniline (PubChem CID 105149189) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(1-aminopent-4-ynyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-aminopent-4-ynyl)-N,N-dimethylaniline
PubChem CID105149189
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-(1-aminopent-4-ynyl)-N,N-dimethylaniline
SMILESC#CCCC(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H18N2/c1-4-5-6-13(14)11-7-9-12(10-8-11)15(2)3/h1,7-10,13H,5-6,14H2,2-3H3
InChIKeyDCLUWEACWIWLAH-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-amino-5-methylhexyl)-N,N-dimethylaniline
CID 105177155
3-(1-aminohex-5-ynyl)-N,N-dimethylaniline
CID 105179526
4-(1-aminododecyl)-N,N-dimethylaniline
CID 154320367
5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol
CID 82367205
(3S)-3-amino-3-[4-(dimethylamino)phenyl]propanenitrile
CID 95436537
4-[(1S)-1-aminobut-3-enyl]-N,N-dimethylaniline
CID 55270314
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
1-(4-ethylsulfanylphenyl)hex-5-yn-1-amine
CID 106848699
1-(3,4,5-trifluorophenyl)pent-4-yn-1-amine
CID 63657908
4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
CID 105334896
4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline
CID 105177745

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopent-4-ynyl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-aminopent-4-ynyl)-N,N-dimethylaniline (CID 105149189) is 4-(1-aminopent-4-ynyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-aminopent-4-ynyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-aminopent-4-ynyl)-N,N-dimethylaniline is C#CCCC(N)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(1-aminopent-4-ynyl)-N,N-dimethylaniline?
The InChIKey is DCLUWEACWIWLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-5-6-13(14)11-7-9-12(10-8-11)15(2)3/h1,7-10,13H,5-6,14H2,2-3H3.
What are the key properties of 4-(1-aminopent-4-ynyl)-N,N-dimethylaniline?
4-(1-aminopent-4-ynyl)-N,N-dimethylaniline has a molecular weight of 202.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopent-4-ynyl)-N,N-dimethylaniline is sourced from PubChem (CID 105149189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).