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

C10H21ClN2 — CID 106437637

IUPAC1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCC(=CCl)CNCC(C)(C)N(C)C
InChIInChI=1S/C10H21ClN2/c1-9(6-11)7-12-8-10(2,3)13(4)5/h6,12H,7-8H2,1-5H3
InChIKeyIOGARYJSWFLOEC-UHFFFAOYSA-N
MW204.74 g/mol
LogP2.06
Rot. Bonds5

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

1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 106437637) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is 1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID106437637
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC Name1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCC(=CCl)CNCC(C)(C)N(C)C
InChIInChI=1S/C10H21ClN2/c1-9(6-11)7-12-8-10(2,3)13(4)5/h6,12H,7-8H2,1-5H3
InChIKeyIOGARYJSWFLOEC-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 106437308
2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide
CID 60693907
N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine
CID 106437388
N-cyclopropyl-2-[[2-(dimethylamino)-2-methylpropyl]amino]acetamide
CID 60693773
2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine
CID 114472186
3-chloro-N-(3-chloropropyl)-2-methylprop-2-en-1-amine
CID 106439962
methyl 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methylbut-2-enoate
CID 103247480
3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine
CID 106438250
3-chloro-2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 106437777
3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol
CID 76916895
1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 107444652
3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide
CID 106437480

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 106437637) is 1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CC(=CCl)CNCC(C)(C)N(C)C.
What is the InChIKey of 1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is IOGARYJSWFLOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2/c1-9(6-11)7-12-8-10(2,3)13(4)5/h6,12H,7-8H2,1-5H3.
What are the key properties of 1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 204.74 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 106437637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).