N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride

C9H18ClN — CID 136574841

IUPACN-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride
SMILESC#CCCN(C)C(C)(C)C.Cl
InChIInChI=1S/C9H17N.ClH/c1-6-7-8-10(5)9(2,3)4;/h1H,7-8H2,2-5H3;1H
InChIKeyOXILPBOPGZDIBE-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.16
Rot. Bonds2

About N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride

N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride (PubChem CID 136574841) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride
PubChem CID136574841
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride
SMILESC#CCCN(C)C(C)(C)C.Cl
InChIInChI=1S/C9H17N.ClH/c1-6-7-8-10(5)9(2,3)4;/h1H,7-8H2,2-5H3;1H
InChIKeyOXILPBOPGZDIBE-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.16
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-dimethylbut-3-yn-1-amine;ethane
CID 142119055
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CID 62686258
N-but-3-ynyl-N-methylpentan-3-amine
CID 63657244
N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 158891423
N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide
CID 142003659
N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine
CID 142817850
N-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate
CID 162107456
1-N-but-3-ynyl-1-N-methylpropane-1,2-diamine
CID 130563525
5-[tert-butyl(methyl)amino]pentan-1-ol
CID 23381575
N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine
CID 21049167

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride?
The IUPAC name of N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride (CID 136574841) is N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride?
The canonical SMILES for N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride is C#CCCN(C)C(C)(C)C.Cl.
What is the InChIKey of N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride?
The InChIKey is OXILPBOPGZDIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-6-7-8-10(5)9(2,3)4;/h1H,7-8H2,2-5H3;1H.
What are the key properties of N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride?
N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride is sourced from PubChem (CID 136574841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).