3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine

C10H24N2 — CID 62692056

IUPAC3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine
SMILESCCC(C)CNCC(N)C(C)C
InChIInChI=1S/C10H24N2/c1-5-9(4)6-12-7-10(11)8(2)3/h8-10,12H,5-7,11H2,1-4H3
InChIKeyRMIGQOBJTZLETG-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.61
Rot. Bonds6

About 3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine

3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine (PubChem CID 62692056) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine
PubChem CID62692056
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine
SMILESCCC(C)CNCC(N)C(C)C
InChIInChI=1S/C10H24N2/c1-5-9(4)6-12-7-10(11)8(2)3/h8-10,12H,5-7,11H2,1-4H3
InChIKeyRMIGQOBJTZLETG-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
CID 59084986
3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904680
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
2-methyl-N-(2-methylbutyl)pentan-3-amine
CID 61468909
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
4-methyl-1-(2-methylbutylamino)pentan-3-ol
CID 115887689
2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine
CID 43096593
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737
3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 107886793
N'-(2-aminopropyl)-2-methylpropane-1,3-diamine
CID 168896832

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine?
The IUPAC name of 3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine (CID 62692056) is 3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine.
What is the SMILES notation for 3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine?
The canonical SMILES for 3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine is CCC(C)CNCC(N)C(C)C.
What is the InChIKey of 3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine?
The InChIKey is RMIGQOBJTZLETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-9(4)6-12-7-10(11)8(2)3/h8-10,12H,5-7,11H2,1-4H3.
What are the key properties of 3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine?
3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine is sourced from PubChem (CID 62692056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).