1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine

C13H30N2 — CID 83144065

IUPAC1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine
SMILESCCCCC(N)CNCC(C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-6-7-8-12(14)10-15-9-11(2)13(3,4)5/h11-12,15H,6-10,14H2,1-5H3
InChIKeyIYFPXRRBXSCEQF-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.78
Rot. Bonds7

About 1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine

1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine (PubChem CID 83144065) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine
PubChem CID83144065
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine
SMILESCCCCC(N)CNCC(C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-6-7-8-12(14)10-15-9-11(2)13(3,4)5/h11-12,15H,6-10,14H2,1-5H3
InChIKeyIYFPXRRBXSCEQF-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
CID 83142777
1-N-(2-aminopentyl)pentane-1,2-diamine
CID 139611076
2-(2-aminohexylamino)ethanol
CID 83960481
(2S)-1-N-methylhexane-1,2-diamine
CID 89357717
(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine
CID 104682386
5-N-(2-aminohexyl)pentane-1,2,5-triamine
CID 88775596
2,2,3-trimethylundecane
CID 21285055
2-tert-butyl-N-(2-methylpropyl)hexan-1-amine
CID 83138560
icosane-5,10,16-triamine
CID 88870264
1-N-(7-methyloctyl)pentane-1,2-diamine
CID 107815807
1-N-[4-(propan-2-ylsulfanylmethyl)phenyl]hexane-1,2-diamine
CID 83961130

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine?
The IUPAC name of 1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine (CID 83144065) is 1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine.
What is the SMILES notation for 1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine?
The canonical SMILES for 1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine is CCCCC(N)CNCC(C)C(C)(C)C.
What is the InChIKey of 1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine?
The InChIKey is IYFPXRRBXSCEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-7-8-12(14)10-15-9-11(2)13(3,4)5/h11-12,15H,6-10,14H2,1-5H3.
What are the key properties of 1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine?
1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine is sourced from PubChem (CID 83144065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).