2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine

C12H28N2 — CID 61352566

IUPAC2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
SMILESCCCN(C(C)C)C(C)(CN)C(C)C
InChIInChI=1S/C12H28N2/c1-7-8-14(11(4)5)12(6,9-13)10(2)3/h10-11H,7-9,13H2,1-6H3
InChIKeyXUCKBGWXNKNPOX-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds6

About 2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine

2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine (PubChem CID 61352566) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
PubChem CID61352566
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
SMILESCCCN(C(C)C)C(C)(CN)C(C)C
InChIInChI=1S/C12H28N2/c1-7-8-14(11(4)5)12(6,9-13)10(2)3/h10-11H,7-9,13H2,1-6H3
InChIKeyXUCKBGWXNKNPOX-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine
CID 60710048
2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 60709914
2-N-[2-(dimethylamino)ethyl]-2-N,2,3-trimethylbutane-1,2-diamine
CID 63694125
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62263476
2-N-(2-methoxyethyl)-2-N-propan-2-yl-2-propylpentane-1,2-diamine
CID 82948952
3,3-dimethoxy-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 66181214
N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine
CID 126624378
2-N-ethyl-2-methyl-2-N-propan-2-ylheptane-1,2-diamine
CID 80558248
3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 113489996
(1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol
CID 87799868
N-butan-2-yl-3-methyl-N-propylpentan-3-amine
CID 138752395
N-tert-butyl-N-propan-2-ylpentan-1-amine
CID 166958417

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine (CID 61352566) is 2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine is CCCN(C(C)C)C(C)(CN)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The InChIKey is XUCKBGWXNKNPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-7-8-14(11(4)5)12(6,9-13)10(2)3/h10-11H,7-9,13H2,1-6H3.
What are the key properties of 2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 61352566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).