N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

C11H22Cl2N2 — CID 79167644

IUPACN-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNCC(Cl)=CCl
InChIInChI=1S/C11H22Cl2N2/c1-10(2)15(3)7-5-4-6-14-9-11(13)8-12/h8,10,14H,4-7,9H2,1-3H3
InChIKeyBWBLUENAGXXNBF-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.02
Rot. Bonds8

About N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 79167644) has the molecular formula C11H22Cl2N2 and a molecular weight of 253.22 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
PubChem CID79167644
Molecular FormulaC11H22Cl2N2
Molecular Weight253.22 g/mol
Exact Mass252.12
IUPAC NameN-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNCC(Cl)=CCl
InChIInChI=1S/C11H22Cl2N2/c1-10(2)15(3)7-5-4-6-14-9-11(13)8-12/h8,10,14H,4-7,9H2,1-3H3
InChIKeyBWBLUENAGXXNBF-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine
CID 79167152
N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine
CID 66047604
2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine
CID 79167154
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79168321
N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide
CID 79168502
3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea
CID 83120350
N-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]acetamide
CID 106045584
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
CID 106036436
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (CID 79167644) is N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is CC(C)N(C)CCCCNCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is BWBLUENAGXXNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Cl2N2/c1-10(2)15(3)7-5-4-6-14-9-11(13)8-12/h8,10,14H,4-7,9H2,1-3H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 253.22 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 79167644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).