4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile

C13H23N3 — CID 64522425

IUPAC4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile
SMILESCNC(C)(C#N)CCN(CC1CC1)C1CC1
InChIInChI=1S/C13H23N3/c1-13(10-14,15-2)7-8-16(12-5-6-12)9-11-3-4-11/h11-12,15H,3-9H2,1-2H3
InChIKeyCTHLMPGVVXYCDC-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.75
Rot. Bonds7

About 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile

4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile (PubChem CID 64522425) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile
PubChem CID64522425
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile
SMILESCNC(C)(C#N)CCN(CC1CC1)C1CC1
InChIInChI=1S/C13H23N3/c1-13(10-14,15-2)7-8-16(12-5-6-12)9-11-3-4-11/h11-12,15H,3-9H2,1-2H3
InChIKeyCTHLMPGVVXYCDC-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile
CID 64520439
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 64522812
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile
CID 64522230
2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
CID 78977424
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 64522437
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
CID 64811479
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile
CID 79315492
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 78977422
methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
CID 64521644
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 63955060
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine
CID 64522169
2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile
CID 63091460

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile?
The IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile (CID 64522425) is 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile?
The canonical SMILES for 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile is CNC(C)(C#N)CCN(CC1CC1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile?
The InChIKey is CTHLMPGVVXYCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(10-14,15-2)7-8-16(12-5-6-12)9-11-3-4-11/h11-12,15H,3-9H2,1-2H3.
What are the key properties of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile?
4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile has a molecular weight of 221.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile is sourced from PubChem (CID 64522425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).