5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile

C18H35N3 — CID 106803389

IUPAC5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C#N)(CCCN(C)CC1CCCCC1)NC(C)C
InChIInChI=1S/C18H35N3/c1-5-18(15-19,20-16(2)3)12-9-13-21(4)14-17-10-7-6-8-11-17/h16-17,20H,5-14H2,1-4H3
InChIKeyQBSVDUNHRUUPAM-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.95
Rot. Bonds9

About 5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile

5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106803389) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID106803389
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C#N)(CCCN(C)CC1CCCCC1)NC(C)C
InChIInChI=1S/C18H35N3/c1-5-18(15-19,20-16(2)3)12-9-13-21(4)14-17-10-7-6-8-11-17/h16-17,20H,5-14H2,1-4H3
InChIKeyQBSVDUNHRUUPAM-UHFFFAOYSA-N
XLogP3.95
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803666
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 62860671
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803222
2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
5-[cyclopropyl(propyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803009
2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803055
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806249
5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804047

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile (CID 106803389) is 5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile is CCC(C#N)(CCCN(C)CC1CCCCC1)NC(C)C.
What is the InChIKey of 5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is QBSVDUNHRUUPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-5-18(15-19,20-16(2)3)12-9-13-21(4)14-17-10-7-6-8-11-17/h16-17,20H,5-14H2,1-4H3.
What are the key properties of 5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 293.50 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106803389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).