N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine

C11H25ClN2 — CID 107913963

IUPACN-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(C)(C)CCCl
InChIInChI=1S/C11H25ClN2/c1-5-14(6-2)10-9-13-11(3,4)7-8-12/h13H,5-10H2,1-4H3
InChIKeyQBHWDGTXTBARRI-UHFFFAOYSA-N
MW220.79 g/mol
LogP2.33
Rot. Bonds8

About N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine

N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 107913963) has the molecular formula C11H25ClN2 and a molecular weight of 220.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID107913963
Molecular FormulaC11H25ClN2
Molecular Weight220.79 g/mol
Exact Mass220.17
IUPAC NameN-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(C)(C)CCCl
InChIInChI=1S/C11H25ClN2/c1-5-14(6-2)10-9-13-11(3,4)7-8-12/h13H,5-10H2,1-4H3
InChIKeyQBHWDGTXTBARRI-UHFFFAOYSA-N
XLogP2.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.79
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554982
4-chloro-N-(3-methoxy-3-methylbutyl)-2-methylbutan-2-amine
CID 103037274
2-[2-(diethylamino)ethylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852678
2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile
CID 61005954
3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid
CID 65265735
methyl 2-[2-(diethylamino)ethylamino]-2-methylpropanoate
CID 60994914
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
2-chloro-N,N-diethylethanamine;hypochlorous acid
CID 19898497
methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate
CID 60994649
N-[4-(2-chloroethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 107913689

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine (CID 107913963) is N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC(C)(C)CCCl.
What is the InChIKey of N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is QBHWDGTXTBARRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25ClN2/c1-5-14(6-2)10-9-13-11(3,4)7-8-12/h13H,5-10H2,1-4H3.
What are the key properties of N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine?
N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 220.79 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 107913963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).