N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine

C10H21ClN2 — CID 106439495

IUPACN'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCC(=CCl)CN(C)CC(C)(C)CN
InChIInChI=1S/C10H21ClN2/c1-9(5-11)6-13(4)8-10(2,3)7-12/h5H,6-8,12H2,1-4H3
InChIKeyUIWBDJKZKRLQAD-UHFFFAOYSA-N
MW204.74 g/mol
LogP2.05
Rot. Bonds5

About N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine

N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 106439495) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID106439495
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC NameN'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCC(=CCl)CN(C)CC(C)(C)CN
InChIInChI=1S/C10H21ClN2/c1-9(5-11)6-13(4)8-10(2,3)7-12/h5H,6-8,12H2,1-4H3
InChIKeyUIWBDJKZKRLQAD-UHFFFAOYSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-methylacetamide
CID 79652071
N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662162
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexylacetamide
CID 79651871
1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol
CID 114496570
N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652389
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride
CID 119928901
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79652067
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 119928864
N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 106437308
N'-decyl-N',2,2-trimethylpropane-1,3-diamine
CID 79652340
N'-heptyl-N',2,2-trimethylpropane-1,3-diamine
CID 79648051
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide
CID 79652457

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine (CID 106439495) is N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine is CC(=CCl)CN(C)CC(C)(C)CN.
What is the InChIKey of N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is UIWBDJKZKRLQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2/c1-9(5-11)6-13(4)8-10(2,3)7-12/h5H,6-8,12H2,1-4H3.
What are the key properties of N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 204.74 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 106439495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).