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

C11H23ClN2 — CID 106437308

IUPACN-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCC(=CCl)CNCC(C)(C)CN(C)C
InChIInChI=1S/C11H23ClN2/c1-10(6-12)7-13-8-11(2,3)9-14(4)5/h6,13H,7-9H2,1-5H3
InChIKeyIMIVSBSSHOJCNP-UHFFFAOYSA-N
MW218.77 g/mol
LogP2.31
Rot. Bonds6

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

N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 106437308) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID106437308
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCC(=CCl)CNCC(C)(C)CN(C)C
InChIInChI=1S/C11H23ClN2/c1-10(6-12)7-13-8-11(2,3)9-14(4)5/h6,13H,7-9H2,1-5H3
InChIKeyIMIVSBSSHOJCNP-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106437637
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572507
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 60672282
N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine
CID 106437388
N'-[2-(dimethylamino)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28572535
N-butan-2-yl-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 43179646
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 3018570
(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol
CID 61142642
N-cyclopropyl-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylacetamide
CID 54957022
N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572608
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-phenylacetamide
CID 28572618
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 106437308) is N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine is CC(=CCl)CNCC(C)(C)CN(C)C.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is IMIVSBSSHOJCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2/c1-10(6-12)7-13-8-11(2,3)9-14(4)5/h6,13H,7-9H2,1-5H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 218.77 g/mol, XLogP of 2.31, 6 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',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 106437308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).