N,N',2-trimethylbutane-1,4-diamine

C7H18N2 — CID 118562812

IUPACN,N',2-trimethylbutane-1,4-diamine
SMILESCNCCC(C)CNC
InChIInChI=1S/C7H18N2/c1-7(6-9-3)4-5-8-2/h7-9H,4-6H2,1-3H3
InChIKeyRFJSAOJSFFKJAP-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.45
Rot. Bonds5

About N,N',2-trimethylbutane-1,4-diamine

N,N',2-trimethylbutane-1,4-diamine (PubChem CID 118562812) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N,N',2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN,N',2-trimethylbutane-1,4-diamine
PubChem CID118562812
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN,N',2-trimethylbutane-1,4-diamine
SMILESCNCCC(C)CNC
InChIInChI=1S/C7H18N2/c1-7(6-9-3)4-5-8-2/h7-9H,4-6H2,1-3H3
InChIKeyRFJSAOJSFFKJAP-UHFFFAOYSA-N
XLogP0.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N',2-trimethylpentane-1,5-diamine
CID 18952778
N,3-dimethylpentan-1-amine;ethane
CID 142089517
N,3,6-trimethylnonan-1-amine
CID 139316935
1-N,3-dimethylheptane-1,6-diamine;ethane
CID 145117681
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
N,3-dimethylnonan-1-amine
CID 81019354
4-methyl-6-(methylamino)hexane-1,2-diol
CID 171648531
(3R)-3-fluoro-N-methylbutan-1-amine
CID 126693109
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
(2S)-N,2,4-trimethylpentan-1-amine
CID 90327710
6,6,6-trifluoro-N,2-dimethylhexan-1-amine
CID 116536282
(5S)-5-methyl-7-(methylamino)heptan-2-one
CID 89328211

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethylbutane-1,4-diamine?
The IUPAC name of N,N',2-trimethylbutane-1,4-diamine (CID 118562812) is N,N',2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N,N',2-trimethylbutane-1,4-diamine?
The canonical SMILES for N,N',2-trimethylbutane-1,4-diamine is CNCCC(C)CNC.
What is the InChIKey of N,N',2-trimethylbutane-1,4-diamine?
The InChIKey is RFJSAOJSFFKJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-7(6-9-3)4-5-8-2/h7-9H,4-6H2,1-3H3.
What are the key properties of N,N',2-trimethylbutane-1,4-diamine?
N,N',2-trimethylbutane-1,4-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 118562812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).