5-methyl-2-(methylamino)hexanenitrile

C8H16N2 — CID 131187113

IUPAC5-methyl-2-(methylamino)hexanenitrile
SMILESCNC(C#N)CCC(C)C
InChIInChI=1S/C8H16N2/c1-7(2)4-5-8(6-9)10-3/h7-8,10H,4-5H2,1-3H3
InChIKeyXSRRYCNQTWXQKA-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.53
Rot. Bonds4

About 5-methyl-2-(methylamino)hexanenitrile

5-methyl-2-(methylamino)hexanenitrile (PubChem CID 131187113) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-methyl-2-(methylamino)hexanenitrile.

Molecular Properties

Compound Name5-methyl-2-(methylamino)hexanenitrile
PubChem CID131187113
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-methyl-2-(methylamino)hexanenitrile
SMILESCNC(C#N)CCC(C)C
InChIInChI=1S/C8H16N2/c1-7(2)4-5-8(6-9)10-3/h7-8,10H,4-5H2,1-3H3
InChIKeyXSRRYCNQTWXQKA-UHFFFAOYSA-N
XLogP1.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Pentanediamine, 2-methyl-N1,N5-bis(1-methylethyl)-
CID 164123
2-Ethyl-3-(methylamino)hexanenitrile
CID 26636
2-Hexylamine, N,5-dimethyl-
CID 44596
Methamexamine
CID 110742
2-(Methylamino)cyclopentane-1-carbonitrile
CID 62742749
2-(Hexylamino)propanenitrile
CID 21433216
3-(2-Ethylhexylamino)propanenitrile
CID 20444821
3-Methyl-2-(propan-2-ylamino)butanenitrile
CID 332394
2-(Butylamino)-3-methylbutanenitrile
CID 13809005
3,3,3-Trifluoro-2-[(5-methylhexan-2-ylamino)methyl]propanenitrile
CID 103367295
2-(1-Cyano-2-methyl-propylamino)-3-methyl-butyronitrile
CID 557658
N-(4-methylpentan-2-yl)hexan-1-amine
CID 43101723

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylamino)hexanenitrile?
The IUPAC name of 5-methyl-2-(methylamino)hexanenitrile (CID 131187113) is 5-methyl-2-(methylamino)hexanenitrile.
What is the SMILES notation for 5-methyl-2-(methylamino)hexanenitrile?
The canonical SMILES for 5-methyl-2-(methylamino)hexanenitrile is CNC(C#N)CCC(C)C.
What is the InChIKey of 5-methyl-2-(methylamino)hexanenitrile?
The InChIKey is XSRRYCNQTWXQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)4-5-8(6-9)10-3/h7-8,10H,4-5H2,1-3H3.
What are the key properties of 5-methyl-2-(methylamino)hexanenitrile?
5-methyl-2-(methylamino)hexanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylamino)hexanenitrile is sourced from PubChem (CID 131187113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).