3,5,5-trimethyloctan-2-amine

C11H25N — CID 123362443

IUPAC3,5,5-trimethyloctan-2-amine
SMILESCCCC(C)(C)CC(C)C(C)N
InChIInChI=1S/C11H25N/c1-6-7-11(4,5)8-9(2)10(3)12/h9-10H,6-8,12H2,1-5H3
InChIKeyKWGFCTGPKWEJBN-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.19
Rot. Bonds5

About 3,5,5-trimethyloctan-2-amine

3,5,5-trimethyloctan-2-amine (PubChem CID 123362443) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 3,5,5-trimethyloctan-2-amine.

Molecular Properties

Compound Name3,5,5-trimethyloctan-2-amine
PubChem CID123362443
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name3,5,5-trimethyloctan-2-amine
SMILESCCCC(C)(C)CC(C)C(C)N
InChIInChI=1S/C11H25N/c1-6-7-11(4,5)8-9(2)10(3)12/h9-10H,6-8,12H2,1-5H3
InChIKeyKWGFCTGPKWEJBN-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethylhexane-1,1-diamine
CID 88633791
(3S)-1-iodo-5,5-dimethyloctan-3-amine
CID 134254412
4,4-dimethyl-2-propan-2-yloxyheptane
CID 123988910
3,5,5-trimethyloct-1-ene
CID 123557497
5-methoxy-3,5-dimethylhexan-2-amine
CID 66438289
N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine
CID 90854541
4,4-dimethyldodecan-2-amine
CID 64715723
3,3-dimethyl-1,1-bis(methylsulfanyl)hexane
CID 123662508
4,4,6,12-tetramethyloctadecane
CID 123154666
2-carbamoyl-4,4-dimethylheptanoic acid
CID 87260001
3,3-dimethylhexane
CID 11233
3,3,6,6-tetramethylnonan-5-amine
CID 89328233

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyloctan-2-amine?
The IUPAC name of 3,5,5-trimethyloctan-2-amine (CID 123362443) is 3,5,5-trimethyloctan-2-amine.
What is the SMILES notation for 3,5,5-trimethyloctan-2-amine?
The canonical SMILES for 3,5,5-trimethyloctan-2-amine is CCCC(C)(C)CC(C)C(C)N.
What is the InChIKey of 3,5,5-trimethyloctan-2-amine?
The InChIKey is KWGFCTGPKWEJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-7-11(4,5)8-9(2)10(3)12/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 3,5,5-trimethyloctan-2-amine?
3,5,5-trimethyloctan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyloctan-2-amine is sourced from PubChem (CID 123362443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).