2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine

C13H22N2 — CID 24696909

IUPAC2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
SMILESCCC(C)(CN)N(C)Cc1ccccc1
InChIInChI=1S/C13H22N2/c1-4-13(2,11-14)15(3)10-12-8-6-5-7-9-12/h5-9H,4,10-11,14H2,1-3H3
InChIKeyXCHVGOQLWJTTQY-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.25
Rot. Bonds5

About 2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine

2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine (PubChem CID 24696909) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
PubChem CID24696909
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
SMILESCCC(C)(CN)N(C)Cc1ccccc1
InChIInChI=1S/C13H22N2/c1-4-13(2,11-14)15(3)10-12-8-6-5-7-9-12/h5-9H,4,10-11,14H2,1-3H3
InChIKeyXCHVGOQLWJTTQY-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine
CID 61413159
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
CID 43130163
2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
CID 115132029
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
CID 130158297
2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 62009772
N-benzyl-1,1,1-trifluoro-N-methylmethanamine
CID 5167579
N,N-dibenzyl-3-methylheptan-3-amine
CID 164668379
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 66346640

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine (CID 24696909) is 2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine is CCC(C)(CN)N(C)Cc1ccccc1.
What is the InChIKey of 2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine?
The InChIKey is XCHVGOQLWJTTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-13(2,11-14)15(3)10-12-8-6-5-7-9-12/h5-9H,4,10-11,14H2,1-3H3.
What are the key properties of 2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine?
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 24696909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).