4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile

C14H27N3 — CID 64727667

IUPAC4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N(CC)C1CC1
InChIInChI=1S/C14H27N3/c1-5-9-16-14(4,11-15)10-12(3)17(6-2)13-7-8-13/h12-13,16H,5-10H2,1-4H3
InChIKeyRSHQPJAQHOINTJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.53
Rot. Bonds8

About 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile

4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile (PubChem CID 64727667) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
PubChem CID64727667
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N(CC)C1CC1
InChIInChI=1S/C14H27N3/c1-5-9-16-14(4,11-15)10-12(3)17(6-2)13-7-8-13/h12-13,16H,5-10H2,1-4H3
InChIKeyRSHQPJAQHOINTJ-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile (CID 64727667) is 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CC(C)N(CC)C1CC1.
What is the InChIKey of 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The InChIKey is RSHQPJAQHOINTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-9-16-14(4,11-15)10-12(3)17(6-2)13-7-8-13/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile is sourced from PubChem (CID 64727667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).