4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile

C15H29N3 — CID 64725508

IUPAC4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile
SMILESCNC(C)(C#N)CC(C)N(C)CC1CCCCC1
InChIInChI=1S/C15H29N3/c1-13(10-15(2,12-16)17-3)18(4)11-14-8-6-5-7-9-14/h13-14,17H,5-11H2,1-4H3
InChIKeyROHZABJIIRLKBG-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds6

About 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile

4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile (PubChem CID 64725508) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile
PubChem CID64725508
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile
SMILESCNC(C)(C#N)CC(C)N(C)CC1CCCCC1
InChIInChI=1S/C15H29N3/c1-13(10-15(2,12-16)17-3)18(4)11-14-8-6-5-7-9-14/h13-14,17H,5-11H2,1-4H3
InChIKeyROHZABJIIRLKBG-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile?
The IUPAC name of 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile (CID 64725508) is 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile is CNC(C)(C#N)CC(C)N(C)CC1CCCCC1.
What is the InChIKey of 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile?
The InChIKey is ROHZABJIIRLKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-13(10-15(2,12-16)17-3)18(4)11-14-8-6-5-7-9-14/h13-14,17H,5-11H2,1-4H3.
What are the key properties of 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile?
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 64725508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).