N,5,7-trimethyloctan-3-amine

C11H25N — CID 123511770

IUPACN,5,7-trimethyloctan-3-amine
SMILESCCC(CC(C)CC(C)C)NC
InChIInChI=1S/C11H25N/c1-6-11(12-5)8-10(4)7-9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyYYOKRCHRZRWJCE-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds6

About N,5,7-trimethyloctan-3-amine

N,5,7-trimethyloctan-3-amine (PubChem CID 123511770) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N,5,7-trimethyloctan-3-amine.

Molecular Properties

Compound NameN,5,7-trimethyloctan-3-amine
PubChem CID123511770
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN,5,7-trimethyloctan-3-amine
SMILESCCC(CC(C)CC(C)C)NC
InChIInChI=1S/C11H25N/c1-6-11(12-5)8-10(4)7-9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyYYOKRCHRZRWJCE-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,5,7-trimethyloctan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propane;2,4,6-trimethylheptane
CID 165013878
1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine
CID 123593300
2,4,6,8-tetramethyldecane
CID 54224604
N-methyl-1-(2-methylpropylsulfanyl)butan-2-amine
CID 64610491
(4S)-2,4-dimethylhexane
CID 22810193
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383
N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine
CID 166718334
1-methoxy-N,2,6-trimethyloctan-4-amine
CID 105138500
1-fluoro-N,4-dimethylpentan-2-amine
CID 112708643

Frequently Asked Questions

What is the IUPAC name of N,5,7-trimethyloctan-3-amine?
The IUPAC name of N,5,7-trimethyloctan-3-amine (CID 123511770) is N,5,7-trimethyloctan-3-amine.
What is the SMILES notation for N,5,7-trimethyloctan-3-amine?
The canonical SMILES for N,5,7-trimethyloctan-3-amine is CCC(CC(C)CC(C)C)NC.
What is the InChIKey of N,5,7-trimethyloctan-3-amine?
The InChIKey is YYOKRCHRZRWJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-11(12-5)8-10(4)7-9(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of N,5,7-trimethyloctan-3-amine?
N,5,7-trimethyloctan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7-trimethyloctan-3-amine is sourced from PubChem (CID 123511770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).