3-methyl-N-(2-methylpropyl)octan-1-amine

C13H29N — CID 81019689

IUPAC3-methyl-N-(2-methylpropyl)octan-1-amine
SMILESCCCCCC(C)CCNCC(C)C
InChIInChI=1S/C13H29N/c1-5-6-7-8-13(4)9-10-14-11-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyIDDMPUOYOKTKQQ-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds9

About 3-methyl-N-(2-methylpropyl)octan-1-amine

3-methyl-N-(2-methylpropyl)octan-1-amine (PubChem CID 81019689) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)octan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)octan-1-amine
PubChem CID81019689
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3-methyl-N-(2-methylpropyl)octan-1-amine
SMILESCCCCCC(C)CCNCC(C)C
InChIInChI=1S/C13H29N/c1-5-6-7-8-13(4)9-10-14-11-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyIDDMPUOYOKTKQQ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-N-[(3R)-3-methylundecyl]propane-1,2-diamine
CID 165044309
N,N'-dibutyl-2,5-dimethylheptane-1,7-diamine;N,N'-diethyl-5-methylnonane-1,9-diamine
CID 21331399
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
N,3-dimethylnonan-1-amine
CID 81019354
6-methylheptacosane
CID 22223776
6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)octan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)octan-1-amine (CID 81019689) is 3-methyl-N-(2-methylpropyl)octan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)octan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)octan-1-amine is CCCCCC(C)CCNCC(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)octan-1-amine?
The InChIKey is IDDMPUOYOKTKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-6-7-8-13(4)9-10-14-11-12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)octan-1-amine?
3-methyl-N-(2-methylpropyl)octan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)octan-1-amine is sourced from PubChem (CID 81019689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).