2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine

C12H28N2 — CID 43295523

IUPAC2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine
SMILESCCC(C)CN(C)C(CN)CC(C)C
InChIInChI=1S/C12H28N2/c1-6-11(4)9-14(5)12(8-13)7-10(2)3/h10-12H,6-9,13H2,1-5H3
InChIKeyZZMRBFWVRUGMES-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.34
Rot. Bonds7

About 2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine

2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine (PubChem CID 43295523) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine
PubChem CID43295523
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine
SMILESCCC(C)CN(C)C(CN)CC(C)C
InChIInChI=1S/C12H28N2/c1-6-11(4)9-14(5)12(8-13)7-10(2)3/h10-12H,6-9,13H2,1-5H3
InChIKeyZZMRBFWVRUGMES-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine
CID 91187830
2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine
CID 103088628
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
(2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine
CID 51624582
2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62422422
N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide
CID 43295869
N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
CID 79470505
(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
CID 112736909
(4S)-2,4-dimethylhexane
CID 22810193
N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine
CID 112660954
1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol
CID 64820668
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 106528505

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine (CID 43295523) is 2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine is CCC(C)CN(C)C(CN)CC(C)C.
What is the InChIKey of 2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine?
The InChIKey is ZZMRBFWVRUGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-11(4)9-14(5)12(8-13)7-10(2)3/h10-12H,6-9,13H2,1-5H3.
What are the key properties of 2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine?
2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine is sourced from PubChem (CID 43295523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).