5,9-dimethylundecan-2-imine

C13H27N — CID 163570105

IUPAC5,9-dimethylundecan-2-imine
SMILES[H]/N=C(\C)CCC(C)CCCC(C)CC
InChIInChI=1S/C13H27N/c1-5-11(2)7-6-8-12(3)9-10-13(4)14/h11-12,14H,5-10H2,1-4H3/b14-13+
InChIKeyFYPDVLBTVIYYNL-BUHFOSPRSA-N
MW197.37 g/mol
LogP4.66
Rot. Bonds8

About 5,9-dimethylundecan-2-imine

5,9-dimethylundecan-2-imine (PubChem CID 163570105) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 5,9-dimethylundecan-2-imine.

Molecular Properties

Compound Name5,9-dimethylundecan-2-imine
PubChem CID163570105
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name5,9-dimethylundecan-2-imine
SMILES[H]/N=C(\C)CCC(C)CCCC(C)CC
InChIInChI=1S/C13H27N/c1-5-11(2)7-6-8-12(3)9-10-13(4)14/h11-12,14H,5-10H2,1-4H3/b14-13+
InChIKeyFYPDVLBTVIYYNL-BUHFOSPRSA-N
XLogP4.66
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,7-dimethylnonan-2-imine
CID 123346808
8-methyl-7-propan-2-ylnonan-2-imine
CID 58164973
(3R,7R)-3,7-dimethylnonane
CID 42626759
6,10-dimethyldodecan-2-one
CID 14707953
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
6-methyl-5-methylideneoctan-2-imine
CID 123962275
methyl 4-methylhexanimidate
CID 57248628
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
ethane;3-methylheptane;propan-2-imine
CID 142132474
2,6,10,15,19-pentamethylhenicosane
CID 6428617
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
8-methylnon-8-en-2-imine
CID 163908836

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethylundecan-2-imine?
The IUPAC name of 5,9-dimethylundecan-2-imine (CID 163570105) is 5,9-dimethylundecan-2-imine.
What is the SMILES notation for 5,9-dimethylundecan-2-imine?
The canonical SMILES for 5,9-dimethylundecan-2-imine is [H]/N=C(\C)CCC(C)CCCC(C)CC.
What is the InChIKey of 5,9-dimethylundecan-2-imine?
The InChIKey is FYPDVLBTVIYYNL-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H27N/c1-5-11(2)7-6-8-12(3)9-10-13(4)14/h11-12,14H,5-10H2,1-4H3/b14-13+.
What are the key properties of 5,9-dimethylundecan-2-imine?
5,9-dimethylundecan-2-imine has a molecular weight of 197.37 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethylundecan-2-imine is sourced from PubChem (CID 163570105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).