3,6,9-trimethylundecan-6-amine

C14H31N — CID 90972549

IUPAC3,6,9-trimethylundecan-6-amine
SMILESCCC(C)CCC(C)(N)CCC(C)CC
InChIInChI=1S/C14H31N/c1-6-12(3)8-10-14(5,15)11-9-13(4)7-2/h12-13H,6-11,15H2,1-5H3
InChIKeyNRWLCOMYMLPFMZ-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.36
Rot. Bonds8

About 3,6,9-trimethylundecan-6-amine

3,6,9-trimethylundecan-6-amine (PubChem CID 90972549) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 3,6,9-trimethylundecan-6-amine.

Molecular Properties

Compound Name3,6,9-trimethylundecan-6-amine
PubChem CID90972549
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name3,6,9-trimethylundecan-6-amine
SMILESCCC(C)CCC(C)(N)CCC(C)CC
InChIInChI=1S/C14H31N/c1-6-12(3)8-10-14(5,15)11-9-13(4)7-2/h12-13H,6-11,15H2,1-5H3
InChIKeyNRWLCOMYMLPFMZ-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-(3-methylpentyl)heptane-1,2-diamine
CID 126685854
3,6-dimethylheptan-3-amine;ethane
CID 156844908
3,5,5,8-tetramethyldecane
CID 57491683
2,3,6-trimethyloctan-3-ol
CID 122367206
3,3,6-trimethyloct-1-ene
CID 123906537
2,2,6-trimethyloctane
CID 522006
4-butan-2-yl-3,4,7,9-tetramethylundecane
CID 123680374
3,6,6,8-tetramethylundecane
CID 90718379
2,5-dimethylheptan-2-yl carbamate
CID 123535810
3,6,6,9-tetramethylundecane-5,5-diol
CID 141261587
2,2,13-trimethylpentadecane
CID 150334228
2,5-dimethyl-2-propylheptanenitrile
CID 176966575

Frequently Asked Questions

What is the IUPAC name of 3,6,9-trimethylundecan-6-amine?
The IUPAC name of 3,6,9-trimethylundecan-6-amine (CID 90972549) is 3,6,9-trimethylundecan-6-amine.
What is the SMILES notation for 3,6,9-trimethylundecan-6-amine?
The canonical SMILES for 3,6,9-trimethylundecan-6-amine is CCC(C)CCC(C)(N)CCC(C)CC.
What is the InChIKey of 3,6,9-trimethylundecan-6-amine?
The InChIKey is NRWLCOMYMLPFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-6-12(3)8-10-14(5,15)11-9-13(4)7-2/h12-13H,6-11,15H2,1-5H3.
What are the key properties of 3,6,9-trimethylundecan-6-amine?
3,6,9-trimethylundecan-6-amine has a molecular weight of 213.41 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9-trimethylundecan-6-amine is sourced from PubChem (CID 90972549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).