N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine

C10H20ClN — CID 107901201

IUPACN-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)C(C)(C)CCl
InChIInChI=1S/C10H20ClN/c1-9(2)6-7-12(5)10(3,4)8-11/h6H,7-8H2,1-5H3
InChIKeyNHROZEFMHMKMTE-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.90
Rot. Bonds4

About N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine

N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 107901201) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine
PubChem CID107901201
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)C(C)(C)CCl
InChIInChI=1S/C10H20ClN/c1-9(2)6-7-12(5)10(3,4)8-11/h6H,7-8H2,1-5H3
InChIKeyNHROZEFMHMKMTE-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-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

2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol
CID 115638245
1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine
CID 107901200
N-(1-chloropropan-2-yl)-N,3-dimethylbut-2-en-1-amine
CID 107901189
N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine
CID 107900993
N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 107901329
(E)-5-[tert-butyl(methyl)amino]pent-3-en-2-one;ethane
CID 177230632
2-ethyl-4-[methyl(2-methylbutan-2-yl)amino]but-2-enoic acid
CID 77101675
N-methyl-N-(3-methylbut-2-enyl)cyclobutanamine
CID 126994828
3-chloro-2,2-dimethyl-N-(3-methylbut-2-enyl)propanamide
CID 106186051
4-[[methyl(3-methylbut-2-enyl)amino]methyl]benzoic acid
CID 54886019
N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide
CID 82078169
1-methyl-1-(3-methylbut-2-enyl)guanidine
CID 87780057

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine (CID 107901201) is N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine is CC(C)=CCN(C)C(C)(C)CCl.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is NHROZEFMHMKMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c1-9(2)6-7-12(5)10(3,4)8-11/h6H,7-8H2,1-5H3.
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine?
N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 189.73 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 107901201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).