3-(1-aminohex-5-ynyl)-N,N-dimethylaniline

C14H20N2 — CID 105179526

IUPAC3-(1-aminohex-5-ynyl)-N,N-dimethylaniline
SMILESC#CCCCC(N)c1cccc(N(C)C)c1
InChIInChI=1S/C14H20N2/c1-4-5-6-10-14(15)12-8-7-9-13(11-12)16(2)3/h1,7-9,11,14H,5-6,10,15H2,2-3H3
InChIKeyXVLKAXPDTYGAHN-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.56
Rot. Bonds5

About 3-(1-aminohex-5-ynyl)-N,N-dimethylaniline

3-(1-aminohex-5-ynyl)-N,N-dimethylaniline (PubChem CID 105179526) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(1-aminohex-5-ynyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(1-aminohex-5-ynyl)-N,N-dimethylaniline
PubChem CID105179526
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(1-aminohex-5-ynyl)-N,N-dimethylaniline
SMILESC#CCCCC(N)c1cccc(N(C)C)c1
InChIInChI=1S/C14H20N2/c1-4-5-6-10-14(15)12-8-7-9-13(11-12)16(2)3/h1,7-9,11,14H,5-6,10,15H2,2-3H3
InChIKeyXVLKAXPDTYGAHN-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
CID 105139782
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704
4-(1-aminopent-4-ynyl)-N,N-dimethylaniline
CID 105149189
3-(1-amino-2-ethoxyethyl)-N,N-dimethylaniline
CID 105165045
1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine
CID 106755808
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105105636
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075
3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline
CID 105089022
1-(4-ethylsulfanylphenyl)hex-5-yn-1-amine
CID 106848699
1-(3-methoxy-4-methylphenyl)hex-5-yn-1-amine
CID 105033862
3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
CID 82605939

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminohex-5-ynyl)-N,N-dimethylaniline?
The IUPAC name of 3-(1-aminohex-5-ynyl)-N,N-dimethylaniline (CID 105179526) is 3-(1-aminohex-5-ynyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(1-aminohex-5-ynyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(1-aminohex-5-ynyl)-N,N-dimethylaniline is C#CCCCC(N)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(1-aminohex-5-ynyl)-N,N-dimethylaniline?
The InChIKey is XVLKAXPDTYGAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-5-6-10-14(15)12-8-7-9-13(11-12)16(2)3/h1,7-9,11,14H,5-6,10,15H2,2-3H3.
What are the key properties of 3-(1-aminohex-5-ynyl)-N,N-dimethylaniline?
3-(1-aminohex-5-ynyl)-N,N-dimethylaniline has a molecular weight of 216.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminohex-5-ynyl)-N,N-dimethylaniline is sourced from PubChem (CID 105179526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).