2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile

C16H27N3 — CID 64520439

IUPAC2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile
SMILESCC(C#N)(CCCN(CC1CC1)C1CC1)NC1CC1
InChIInChI=1S/C16H27N3/c1-16(12-17,18-14-5-6-14)9-2-10-19(15-7-8-15)11-13-3-4-13/h13-15,18H,2-11H2,1H3
InChIKeyXTXCDCPFBTZZLQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.68
Rot. Bonds9

About 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile

2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile (PubChem CID 64520439) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile
PubChem CID64520439
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile
SMILESCC(C#N)(CCCN(CC1CC1)C1CC1)NC1CC1
InChIInChI=1S/C16H27N3/c1-16(12-17,18-14-5-6-14)9-2-10-19(15-7-8-15)11-13-3-4-13/h13-15,18H,2-11H2,1H3
InChIKeyXTXCDCPFBTZZLQ-UHFFFAOYSA-N
XLogP2.68
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile
CID 64522425
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 64522812
5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 63631836
2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile
CID 78977480
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002
2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
CID 78977424
2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile
CID 63698921
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 63965795
2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid
CID 64521035
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile
CID 63713353
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid
CID 106806318
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
CID 79850050

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile (CID 64520439) is 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile is CC(C#N)(CCCN(CC1CC1)C1CC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile?
The InChIKey is XTXCDCPFBTZZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(12-17,18-14-5-6-14)9-2-10-19(15-7-8-15)11-13-3-4-13/h13-15,18H,2-11H2,1H3.
What are the key properties of 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile?
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile has a molecular weight of 261.41 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile is sourced from PubChem (CID 64520439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).