2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine

C13H30N2 — CID 83143771

IUPAC2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine
SMILESCCC(N)(CC)CNCC(C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-7-13(14,8-2)10-15-9-11(3)12(4,5)6/h11,15H,7-10,14H2,1-6H3
InChIKeyKJGDKOPFENNKKG-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.78
Rot. Bonds6

About 2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine

2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine (PubChem CID 83143771) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine
PubChem CID83143771
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine
SMILESCCC(N)(CC)CNCC(C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-7-13(14,8-2)10-15-9-11(3)12(4,5)6/h11,15H,7-10,14H2,1-6H3
InChIKeyKJGDKOPFENNKKG-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol
CID 83144416
N-(2-ethoxyethyl)-2,3,3-trimethylbutan-1-amine
CID 83143749
N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide
CID 107529863
N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
CID 83143458
methyl 2,2-dimethyl-3-(2,3,3-trimethylbutylamino)propanoate
CID 83143662
1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine
CID 83144065
2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine
CID 114472495
N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine
CID 83144622
2-ethyl-1-N-methylbutane-1,2-diamine
CID 21278322
2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 83143358
2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine
CID 104682386
N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide
CID 83144600

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine (CID 83143771) is 2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine is CCC(N)(CC)CNCC(C)C(C)(C)C.
What is the InChIKey of 2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine?
The InChIKey is KJGDKOPFENNKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-13(14,8-2)10-15-9-11(3)12(4,5)6/h11,15H,7-10,14H2,1-6H3.
What are the key properties of 2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine?
2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine is sourced from PubChem (CID 83143771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).