N-tert-butyl-2,4-dimethylhexan-2-amine

C12H27N — CID 90827522

IUPACN-tert-butyl-2,4-dimethylhexan-2-amine
SMILESCCC(C)CC(C)(C)NC(C)(C)C
InChIInChI=1S/C12H27N/c1-8-10(2)9-12(6,7)13-11(3,4)5/h10,13H,8-9H2,1-7H3
InChIKeyAOGDLWYMNRWMJB-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds4

About N-tert-butyl-2,4-dimethylhexan-2-amine

N-tert-butyl-2,4-dimethylhexan-2-amine (PubChem CID 90827522) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-tert-butyl-2,4-dimethylhexan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-2,4-dimethylhexan-2-amine
PubChem CID90827522
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-tert-butyl-2,4-dimethylhexan-2-amine
SMILESCCC(C)CC(C)(C)NC(C)(C)C
InChIInChI=1S/C12H27N/c1-8-10(2)9-12(6,7)13-11(3,4)5/h10,13H,8-9H2,1-7H3
InChIKeyAOGDLWYMNRWMJB-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-methylbutan-2-amine;ethane
CID 142129044
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol
CID 88673624
3-fluoro-3,5-dimethylheptane
CID 123257807
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine
CID 164863401
1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
1,2,2-trifluoro-4-methylhexane
CID 145450268
2,2,4-trimethylhexan-1-ol
CID 14747424
1,1,1-trifluoro-3-methylpentane
CID 21020397

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-dimethylhexan-2-amine?
The IUPAC name of N-tert-butyl-2,4-dimethylhexan-2-amine (CID 90827522) is N-tert-butyl-2,4-dimethylhexan-2-amine.
What is the SMILES notation for N-tert-butyl-2,4-dimethylhexan-2-amine?
The canonical SMILES for N-tert-butyl-2,4-dimethylhexan-2-amine is CCC(C)CC(C)(C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2,4-dimethylhexan-2-amine?
The InChIKey is AOGDLWYMNRWMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-8-10(2)9-12(6,7)13-11(3,4)5/h10,13H,8-9H2,1-7H3.
What are the key properties of N-tert-butyl-2,4-dimethylhexan-2-amine?
N-tert-butyl-2,4-dimethylhexan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-dimethylhexan-2-amine is sourced from PubChem (CID 90827522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).