3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine

C13H29N — CID 102904680

IUPAC3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine
SMILESCCC(C)CNCC(C(C)C)C(C)C
InChIInChI=1S/C13H29N/c1-7-12(6)8-14-9-13(10(2)3)11(4)5/h10-14H,7-9H2,1-6H3
InChIKeySKRCSRHIELXXBF-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.55
Rot. Bonds7

About 3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine

3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine (PubChem CID 102904680) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine
PubChem CID102904680
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine
SMILESCCC(C)CNCC(C(C)C)C(C)C
InChIInChI=1S/C13H29N/c1-7-12(6)8-14-9-13(10(2)3)11(4)5/h10-14H,7-9H2,1-6H3
InChIKeySKRCSRHIELXXBF-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
CID 59084986
N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine
CID 102913460
3-methyl-1-N-(2-methylbutyl)butane-1,2-diamine
CID 62692056
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
CID 102905339
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
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
3-methylpentane;propane
CID 123266773
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine (CID 102904680) is 3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine is CCC(C)CNCC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine?
The InChIKey is SKRCSRHIELXXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-12(6)8-14-9-13(10(2)3)11(4)5/h10-14H,7-9H2,1-6H3.
What are the key properties of 3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine?
3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).