N,N,3-triethylhex-4-yn-3-amine

C12H23N — CID 173345718

IUPACN,N,3-triethylhex-4-yn-3-amine
SMILESCC#CC(CC)(CC)N(CC)CC
InChIInChI=1S/C12H23N/c1-6-11-12(7-2,8-3)13(9-4)10-5/h7-10H2,1-5H3
InChIKeyOHAWGQMJVNPEKJ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds5

About N,N,3-triethylhex-4-yn-3-amine

N,N,3-triethylhex-4-yn-3-amine (PubChem CID 173345718) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,N,3-triethylhex-4-yn-3-amine.

Molecular Properties

Compound NameN,N,3-triethylhex-4-yn-3-amine
PubChem CID173345718
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,N,3-triethylhex-4-yn-3-amine
SMILESCC#CC(CC)(CC)N(CC)CC
InChIInChI=1S/C12H23N/c1-6-11-12(7-2,8-3)13(9-4)10-5/h7-10H2,1-5H3
InChIKeyOHAWGQMJVNPEKJ-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.91
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

N,N,3-triethyl-1-phenylpent-1-yn-3-amine
CID 11322491
1-N,1-N,1-N',1-N',1-N",1-N"-hexaethylpropane-1,1,1-triamine
CID 174059881
3-aminohex-4-yn-3-ol
CID 172783999
4,4-diethylocta-2,5-diyne
CID 583683
3-N,3-N,3-triethylnon-7-yne-3,4-diamine
CID 104806472
1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine
CID 175352703
4-propylhept-2-yn-4-ol
CID 54327279
1,2-dibromo-N,N-diethylbutan-2-amine
CID 140548713
3-N,3-N-diethyl-3-methyl-4-N-propyloct-6-yne-3,4-diamine
CID 79068530
2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine
CID 79055909
2-(diethylamino)-2-methylpropane-1,3-diol
CID 21452281
N,N-diethyl-2-methylpropan-2-amine;dimethylsilane
CID 173297747

Frequently Asked Questions

What is the IUPAC name of N,N,3-triethylhex-4-yn-3-amine?
The IUPAC name of N,N,3-triethylhex-4-yn-3-amine (CID 173345718) is N,N,3-triethylhex-4-yn-3-amine.
What is the SMILES notation for N,N,3-triethylhex-4-yn-3-amine?
The canonical SMILES for N,N,3-triethylhex-4-yn-3-amine is CC#CC(CC)(CC)N(CC)CC.
What is the InChIKey of N,N,3-triethylhex-4-yn-3-amine?
The InChIKey is OHAWGQMJVNPEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-11-12(7-2,8-3)13(9-4)10-5/h7-10H2,1-5H3.
What are the key properties of N,N,3-triethylhex-4-yn-3-amine?
N,N,3-triethylhex-4-yn-3-amine has a molecular weight of 181.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-triethylhex-4-yn-3-amine is sourced from PubChem (CID 173345718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).