2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine

C13H30N2 — CID 104682386

IUPAC2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine
SMILESCC(CCCN)CNCC(C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(7-6-8-14)9-15-10-12(2)13(3,4)5/h11-12,15H,6-10,14H2,1-5H3
InChIKeyWNZMJLITGSWESB-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.63
Rot. Bonds7

About 2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine

2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine (PubChem CID 104682386) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine
PubChem CID104682386
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine
SMILESCC(CCCN)CNCC(C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(7-6-8-14)9-15-10-12(2)13(3,4)5/h11-12,15H,6-10,14H2,1-5H3
InChIKeyWNZMJLITGSWESB-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
3-[(5-amino-2-methylpentyl)amino]propanal
CID 90399797
1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine
CID 83144065
2-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 79001587
N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine
CID 137382586
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
CID 83142777
N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
CID 144887012
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
9-amino-2,6-dimethylnonan-2-ol
CID 55254540
N'-(3-aminopropyl)-4-methyloctane-1,8-diamine
CID 23599731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine?
The IUPAC name of 2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine (CID 104682386) is 2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine is CC(CCCN)CNCC(C)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine?
The InChIKey is WNZMJLITGSWESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-11(7-6-8-14)9-15-10-12(2)13(3,4)5/h11-12,15H,6-10,14H2,1-5H3.
What are the key properties of 2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine?
2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine is sourced from PubChem (CID 104682386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).