1-N,2-N-ditert-butylbutane-1,2-diamine

C12H28N2 — CID 58903016

IUPAC1-N,2-N-ditert-butylbutane-1,2-diamine
SMILESCCC(CNC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C12H28N2/c1-8-10(14-12(5,6)7)9-13-11(2,3)4/h10,13-14H,8-9H2,1-7H3
InChIKeyHAFNREZANPQQKN-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.54
Rot. Bonds4

About 1-N,2-N-ditert-butylbutane-1,2-diamine

1-N,2-N-ditert-butylbutane-1,2-diamine (PubChem CID 58903016) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N,2-N-ditert-butylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-ditert-butylbutane-1,2-diamine
PubChem CID58903016
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N,2-N-ditert-butylbutane-1,2-diamine
SMILESCCC(CNC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C12H28N2/c1-8-10(14-12(5,6)7)9-13-11(2,3)4/h10,13-14H,8-9H2,1-7H3
InChIKeyHAFNREZANPQQKN-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylamino)-3-ethylpentan-2-ol
CID 62775304
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
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CID 63522763
N-tert-butyl-2-ethyl-3-methylhexan-1-amine
CID 107897145
1-N,1-N'-ditert-butylpropane-1,1-diamine
CID 134169059
N-tert-butyl-2-ethyldecan-1-amine
CID 55196031
2-[2-(methylamino)butylamino]propan-2-ol
CID 87480587
(3R)-N-tert-butyl-4-methylhexan-3-amine
CID 89089273
2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine
CID 173233683
N-tert-butyl-3-methyl-2-propylhexan-1-amine
CID 107897126
N-tert-butyl-2-ethyl-5-methoxypentan-1-amine
CID 62515551
1-N-tert-butyl-2-N-ethyl-2-N-(2-methylpropyl)butane-1,2-diamine
CID 62422722

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-ditert-butylbutane-1,2-diamine?
The IUPAC name of 1-N,2-N-ditert-butylbutane-1,2-diamine (CID 58903016) is 1-N,2-N-ditert-butylbutane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-ditert-butylbutane-1,2-diamine?
The canonical SMILES for 1-N,2-N-ditert-butylbutane-1,2-diamine is CCC(CNC(C)(C)C)NC(C)(C)C.
What is the InChIKey of 1-N,2-N-ditert-butylbutane-1,2-diamine?
The InChIKey is HAFNREZANPQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-8-10(14-12(5,6)7)9-13-11(2,3)4/h10,13-14H,8-9H2,1-7H3.
What are the key properties of 1-N,2-N-ditert-butylbutane-1,2-diamine?
1-N,2-N-ditert-butylbutane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-ditert-butylbutane-1,2-diamine is sourced from PubChem (CID 58903016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).