4,4-dimethylpent-1-yn-3-amine;hydrochloride

C7H14ClN — CID 119031411

IUPAC4,4-dimethylpent-1-yn-3-amine;hydrochloride
SMILESC#CC(N)C(C)(C)C.Cl
InChIInChI=1S/C7H13N.ClH/c1-5-6(8)7(2,3)4;/h1,6H,8H2,2-4H3;1H
InChIKeyPTXMXRUISKVVCY-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.41
Rot. Bonds

About 4,4-dimethylpent-1-yn-3-amine;hydrochloride

4,4-dimethylpent-1-yn-3-amine;hydrochloride (PubChem CID 119031411) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 4,4-dimethylpent-1-yn-3-amine;hydrochloride.

Molecular Properties

Compound Name4,4-dimethylpent-1-yn-3-amine;hydrochloride
PubChem CID119031411
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name4,4-dimethylpent-1-yn-3-amine;hydrochloride
SMILESC#CC(N)C(C)(C)C.Cl
InChIInChI=1S/C7H13N.ClH/c1-5-6(8)7(2,3)4;/h1,6H,8H2,2-4H3;1H
InChIKeyPTXMXRUISKVVCY-UHFFFAOYSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-methylpent-1-yn-3-amine
CID 11579133
pent-1-yn-3-amine;hydrochloride
CID 75480843
5-amino-6,6-dimethylhept-1-yn-4-one
CID 116611317
1-fluoro-2,2-dimethylpropan-1-amine
CID 88688039
1-trimethylsilylprop-2-yn-1-amine
CID 151117017
3-amino-4,4-dimethylpentanenitrile;hydrochloride
CID 87235043
2,2-difluoropropane-1,1-diamine;hydrochloride
CID 87958689
(2S)-3-fluoro-3-methylbutan-2-amine
CID 83814959
2,4-dimethylpentane-2,3,4-triamine;trihydrochloride
CID 142691028
1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine
CID 89056247
CID 87644309
CID 87644309
3,4-dimethylpent-1-yn-3-amine
CID 10129922

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpent-1-yn-3-amine;hydrochloride?
The IUPAC name of 4,4-dimethylpent-1-yn-3-amine;hydrochloride (CID 119031411) is 4,4-dimethylpent-1-yn-3-amine;hydrochloride.
What is the SMILES notation for 4,4-dimethylpent-1-yn-3-amine;hydrochloride?
The canonical SMILES for 4,4-dimethylpent-1-yn-3-amine;hydrochloride is C#CC(N)C(C)(C)C.Cl.
What is the InChIKey of 4,4-dimethylpent-1-yn-3-amine;hydrochloride?
The InChIKey is PTXMXRUISKVVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-5-6(8)7(2,3)4;/h1,6H,8H2,2-4H3;1H.
What are the key properties of 4,4-dimethylpent-1-yn-3-amine;hydrochloride?
4,4-dimethylpent-1-yn-3-amine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpent-1-yn-3-amine;hydrochloride is sourced from PubChem (CID 119031411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).