5-(dipropylamino)-2-methylpentanenitrile

C12H24N2 — CID 143685466

IUPAC5-(dipropylamino)-2-methylpentanenitrile
SMILESCCCN(CCC)CCCC(C)C#N
InChIInChI=1S/C12H24N2/c1-4-8-14(9-5-2)10-6-7-12(3)11-13/h12H,4-10H2,1-3H3
InChIKeyGWXMHDZMPCQGFI-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.05
Rot. Bonds8

About 5-(dipropylamino)-2-methylpentanenitrile

5-(dipropylamino)-2-methylpentanenitrile (PubChem CID 143685466) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 5-(dipropylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name5-(dipropylamino)-2-methylpentanenitrile
PubChem CID143685466
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name5-(dipropylamino)-2-methylpentanenitrile
SMILESCCCN(CCC)CCCC(C)C#N
InChIInChI=1S/C12H24N2/c1-4-8-14(9-5-2)10-6-7-12(3)11-13/h12H,4-10H2,1-3H3
InChIKeyGWXMHDZMPCQGFI-UHFFFAOYSA-N
XLogP3.05
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethylheptanedinitrile
CID 15584321
6-(dimethylamino)-2-methylhexanenitrile
CID 54049734
15-methyl-N,N-dipropylhexadecan-1-amine
CID 139724040
7-methyl-N,N-dipropyloctan-1-amine
CID 140640733
4-[ethyl(methyl)amino]-2-methylbutanenitrile
CID 88586045
2-[4-aminopentyl(propyl)amino]ethanol
CID 45357637
2-methyltetracos-20-enenitrile
CID 175156352
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
N-ethyl-4-methyl-N-propylhexan-1-amine
CID 142891130
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile
CID 81105423
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903

Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-2-methylpentanenitrile?
The IUPAC name of 5-(dipropylamino)-2-methylpentanenitrile (CID 143685466) is 5-(dipropylamino)-2-methylpentanenitrile.
What is the SMILES notation for 5-(dipropylamino)-2-methylpentanenitrile?
The canonical SMILES for 5-(dipropylamino)-2-methylpentanenitrile is CCCN(CCC)CCCC(C)C#N.
What is the InChIKey of 5-(dipropylamino)-2-methylpentanenitrile?
The InChIKey is GWXMHDZMPCQGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-8-14(9-5-2)10-6-7-12(3)11-13/h12H,4-10H2,1-3H3.
What are the key properties of 5-(dipropylamino)-2-methylpentanenitrile?
5-(dipropylamino)-2-methylpentanenitrile has a molecular weight of 196.34 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-2-methylpentanenitrile is sourced from PubChem (CID 143685466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).