2,2,5-trimethyloctan-4-amine

C11H25N — CID 107893664

IUPAC2,2,5-trimethyloctan-4-amine
SMILESCCCC(C)C(N)CC(C)(C)C
InChIInChI=1S/C11H25N/c1-6-7-9(2)10(12)8-11(3,4)5/h9-10H,6-8,12H2,1-5H3
InChIKeyBNKTVSSCVISWFD-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.19
Rot. Bonds4

About 2,2,5-trimethyloctan-4-amine

2,2,5-trimethyloctan-4-amine (PubChem CID 107893664) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2,2,5-trimethyloctan-4-amine.

Molecular Properties

Compound Name2,2,5-trimethyloctan-4-amine
PubChem CID107893664
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2,2,5-trimethyloctan-4-amine
SMILESCCCC(C)C(N)CC(C)(C)C
InChIInChI=1S/C11H25N/c1-6-7-9(2)10(12)8-11(3,4)5/h9-10H,6-8,12H2,1-5H3
InChIKeyBNKTVSSCVISWFD-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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CID 164901043
4-methyltetradecan-5-amine
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1-methoxy-3-methylhexan-2-amine
CID 105008836
2,2,6,6-tetramethyl-4-propylheptane
CID 57492954
2,5,5,6,9,9-hexamethyldecane-3,7-diamine
CID 130251499
1-ethoxy-3-methylhexan-2-amine
CID 105007979
(3R,4R,5R)-4,5-dimethyloctan-3-amine
CID 151288694
3-methyl-1-propoxyhexan-2-amine
CID 105008414
2,2,6,6-tetramethylheptane-3,4-diamine
CID 175410275
5-tert-butyl-4,6-dimethylnonane
CID 91526510

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyloctan-4-amine?
The IUPAC name of 2,2,5-trimethyloctan-4-amine (CID 107893664) is 2,2,5-trimethyloctan-4-amine.
What is the SMILES notation for 2,2,5-trimethyloctan-4-amine?
The canonical SMILES for 2,2,5-trimethyloctan-4-amine is CCCC(C)C(N)CC(C)(C)C.
What is the InChIKey of 2,2,5-trimethyloctan-4-amine?
The InChIKey is BNKTVSSCVISWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-7-9(2)10(12)8-11(3,4)5/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 2,2,5-trimethyloctan-4-amine?
2,2,5-trimethyloctan-4-amine has a molecular weight of 171.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyloctan-4-amine is sourced from PubChem (CID 107893664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).