N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine

C15H33N — CID 91187830

IUPACN,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine
SMILESCCC(C)CC(CC(C)C)N(C)CC(C)C
InChIInChI=1S/C15H33N/c1-8-14(6)10-15(9-12(2)3)16(7)11-13(4)5/h12-15H,8-11H2,1-7H3
InChIKeyFMIGBXVPQVXGHV-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.43
Rot. Bonds8

About N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine

N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine (PubChem CID 91187830) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine.

Molecular Properties

Compound NameN,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine
PubChem CID91187830
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine
SMILESCCC(C)CC(CC(C)C)N(C)CC(C)C
InChIInChI=1S/C15H33N/c1-8-14(6)10-15(9-12(2)3)16(7)11-13(4)5/h12-15H,8-11H2,1-7H3
InChIKeyFMIGBXVPQVXGHV-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine
CID 43295523
(4S)-2,4-dimethylhexane
CID 22810193
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383
2,4,6,8-tetramethyldecane
CID 54224604
2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62422422
1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine
CID 23505022
2,4,7,9-tetramethylundecane
CID 91346710
2,4-dimethylhexane;hexane
CID 174686373
3,5-dimethylheptane;ethane
CID 172617343
1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine
CID 115317309
(2R)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 103934492

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine?
The IUPAC name of N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine (CID 91187830) is N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine.
What is the SMILES notation for N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine?
The canonical SMILES for N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine is CCC(C)CC(CC(C)C)N(C)CC(C)C.
What is the InChIKey of N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine?
The InChIKey is FMIGBXVPQVXGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-8-14(6)10-15(9-12(2)3)16(7)11-13(4)5/h12-15H,8-11H2,1-7H3.
What are the key properties of N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine?
N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine has a molecular weight of 227.44 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine is sourced from PubChem (CID 91187830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).