N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

C12H28N2 — CID 61387189

IUPACN-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)N(C)CCNC(C)(C)C
InChIInChI=1S/C12H28N2/c1-10(2)11(3)14(7)9-8-13-12(4,5)6/h10-11,13H,8-9H2,1-7H3
InChIKeyAAQMFOAAFGHRLM-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds5

About N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 61387189) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID61387189
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)N(C)CCNC(C)(C)C
InChIInChI=1S/C12H28N2/c1-10(2)11(3)14(7)9-8-13-12(4,5)6/h10-11,13H,8-9H2,1-7H3
InChIKeyAAQMFOAAFGHRLM-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 60850482
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine
CID 62434303
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387174
N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
CID 107445595
(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine
CID 170065203
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463732
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)butane-1,4-diamine
CID 62432648
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 55089958
N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 106453519
2-methyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64796845
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
CID 62432654
N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62575849

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 61387189) is N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is CC(C)C(C)N(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is AAQMFOAAFGHRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-10(2)11(3)14(7)9-8-13-12(4,5)6/h10-11,13H,8-9H2,1-7H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 61387189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).