3,6,6-trimethyloctan-4-amine

C11H25N — CID 89008923

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

About 3,6,6-trimethyloctan-4-amine

3,6,6-trimethyloctan-4-amine (PubChem CID 89008923) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 3,6,6-trimethyloctan-4-amine.

Molecular Properties

Compound Name3,6,6-trimethyloctan-4-amine
PubChem CID89008923
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name3,6,6-trimethyloctan-4-amine
SMILESCCC(C)C(N)CC(C)(C)CC
InChIInChI=1S/C11H25N/c1-6-9(3)10(12)8-11(4,5)7-2/h9-10H,6-8,12H2,1-5H3
InChIKeyRFWDVIIZSJTWEV-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

2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine
CID 89354237
4,4-dimethylhexan-2-yl 2-methylpropanoate
CID 89041122
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
1-N-tert-butyl-1-N,3-dimethylpentane-1,2-diamine
CID 146666471
(4S)-2,5-dimethylheptan-4-amine
CID 145304890
3,3,5,7-tetramethylnonane
CID 57490983
propan-2-yl 2-tert-butyl-4,4-dimethylhexanoate
CID 89367103
1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine
CID 61168462
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyloctan-4-amine?
The IUPAC name of 3,6,6-trimethyloctan-4-amine (CID 89008923) is 3,6,6-trimethyloctan-4-amine.
What is the SMILES notation for 3,6,6-trimethyloctan-4-amine?
The canonical SMILES for 3,6,6-trimethyloctan-4-amine is CCC(C)C(N)CC(C)(C)CC.
What is the InChIKey of 3,6,6-trimethyloctan-4-amine?
The InChIKey is RFWDVIIZSJTWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-9(3)10(12)8-11(4,5)7-2/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 3,6,6-trimethyloctan-4-amine?
3,6,6-trimethyloctan-4-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 3,6,6-trimethyloctan-4-amine is sourced from PubChem (CID 89008923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).