3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine

C12H27N — CID 143524593

IUPAC3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine
SMILESCC(C)C(C)NC(C)C(C)C(C)C
InChIInChI=1S/C12H27N/c1-8(2)10(5)12(7)13-11(6)9(3)4/h8-13H,1-7H3
InChIKeyBAZJGPXEDQLONA-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.30
Rot. Bonds5

About 3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine

3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine (PubChem CID 143524593) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine
PubChem CID143524593
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine
SMILESCC(C)C(C)NC(C)C(C)C(C)C
InChIInChI=1S/C12H27N/c1-8(2)10(5)12(7)13-11(6)9(3)4/h8-13H,1-7H3
InChIKeyBAZJGPXEDQLONA-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol
CID 93082740
2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103387734
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
CID 123517328
(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036853
(2R)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036851
2-(3-methylbutan-2-ylamino)propanamide
CID 43086372
2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane
CID 141460639
N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine
CID 147423787
N-fluoro-3-methylbutan-2-amine
CID 131992470
3-N-(3-aminobutan-2-yl)butane-2,3-diamine
CID 87221805
ethane;hydron;bis(2,3,4-trimethylpentane)
CID 160880864
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-heptacosamethylnonacosane;methane
CID 160593836

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine?
The IUPAC name of 3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine (CID 143524593) is 3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine.
What is the SMILES notation for 3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine?
The canonical SMILES for 3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine is CC(C)C(C)NC(C)C(C)C(C)C.
What is the InChIKey of 3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine?
The InChIKey is BAZJGPXEDQLONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-8(2)10(5)12(7)13-11(6)9(3)4/h8-13H,1-7H3.
What are the key properties of 3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine?
3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine is sourced from PubChem (CID 143524593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).