4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile

C13H27N3 — CID 64726664

IUPAC4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile
SMILESCCN(CC(C)C)C(C)CC(C)(C#N)NC
InChIInChI=1S/C13H27N3/c1-7-16(9-11(2)3)12(4)8-13(5,10-14)15-6/h11-12,15H,7-9H2,1-6H3
InChIKeyMQSGTDRTGOKJSS-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.24
Rot. Bonds7

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

4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile (PubChem CID 64726664) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile
PubChem CID64726664
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile
SMILESCCN(CC(C)C)C(C)CC(C)(C#N)NC
InChIInChI=1S/C13H27N3/c1-7-16(9-11(2)3)12(4)8-13(5,10-14)15-6/h11-12,15H,7-9H2,1-6H3
InChIKeyMQSGTDRTGOKJSS-UHFFFAOYSA-N
XLogP2.24
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile
CID 64726500
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727286
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile
CID 64727068
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanenitrile
CID 64726076
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64698958
2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile
CID 64726687
4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile
CID 64698950
4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727261
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 64725508
4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64698955
N-ethyl-N-(2-methylpropyl)butan-2-amine
CID 54537801

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile?
The IUPAC name of 4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile (CID 64726664) is 4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile is CCN(CC(C)C)C(C)CC(C)(C#N)NC.
What is the InChIKey of 4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile?
The InChIKey is MQSGTDRTGOKJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-7-16(9-11(2)3)12(4)8-13(5,10-14)15-6/h11-12,15H,7-9H2,1-6H3.
What are the key properties of 4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile?
4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile has a molecular weight of 225.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 64726664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).