4,4-dimethylpent-2-yn-1-amine

C7H13N — CID 55281321

IUPAC4,4-dimethylpent-2-yn-1-amine
SMILESCC(C)(C)C#CCN
InChIInChI=1S/C7H13N/c1-7(2,3)5-4-6-8/h6,8H2,1-3H3
InChIKeyKZIPPJINJOKJRI-UHFFFAOYSA-N
MW111.19 g/mol
LogP0.99
Rot. Bonds

About 4,4-dimethylpent-2-yn-1-amine

4,4-dimethylpent-2-yn-1-amine (PubChem CID 55281321) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 4,4-dimethylpent-2-yn-1-amine.

Molecular Properties

Compound Name4,4-dimethylpent-2-yn-1-amine
PubChem CID55281321
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name4,4-dimethylpent-2-yn-1-amine
SMILESCC(C)(C)C#CCN
InChIInChI=1S/C7H13N/c1-7(2,3)5-4-6-8/h6,8H2,1-3H3
InChIKeyKZIPPJINJOKJRI-UHFFFAOYSA-N
XLogP0.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4,4-dimethylpent-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethylpent-2-ynylsilane
CID 174378257
4,4-dimethylpent-2-yne-1-thiol
CID 57065051
hexa-2,4-diyne-1,6-diamine
CID 10057458
4,4-dimethylpent-2-yn-1-ol;2,2-dimethylpropanenitrile
CID 158218552
8-bromo-2,2-dimethyloct-3-yne
CID 54313482
7,7-dimethyloct-5-yn-3-ol
CID 12794181
5,5-dimethyl-1-propoxyhex-3-yne
CID 123574561
7,7-dimethyloct-3-en-5-yn-1-amine;hydrochloride
CID 173336692
7,7-dimethyloct-5-ynoic acid
CID 126973766
2,6,6-trimethylhept-4-ynoic acid
CID 21307528
1-diazo-3,3,7,7-tetramethyloct-5-yn-2-one
CID 102078776
(2S)-2-amino-5,5-dimethylhex-3-yn-1-ol
CID 58790036

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpent-2-yn-1-amine?
The IUPAC name of 4,4-dimethylpent-2-yn-1-amine (CID 55281321) is 4,4-dimethylpent-2-yn-1-amine.
What is the SMILES notation for 4,4-dimethylpent-2-yn-1-amine?
The canonical SMILES for 4,4-dimethylpent-2-yn-1-amine is CC(C)(C)C#CCN.
What is the InChIKey of 4,4-dimethylpent-2-yn-1-amine?
The InChIKey is KZIPPJINJOKJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7(2,3)5-4-6-8/h6,8H2,1-3H3.
What are the key properties of 4,4-dimethylpent-2-yn-1-amine?
4,4-dimethylpent-2-yn-1-amine has a molecular weight of 111.19 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpent-2-yn-1-amine is sourced from PubChem (CID 55281321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).