2-[tert-butyl(ethyl)amino]propanenitrile

C9H18N2 — CID 130756537

IUPAC2-[tert-butyl(ethyl)amino]propanenitrile
SMILESCCN(C(C)C#N)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-11(8(2)7-10)9(3,4)5/h8H,6H2,1-5H3
InChIKeyLRVQOLHOSKGADV-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.02
Rot. Bonds2

About 2-[tert-butyl(ethyl)amino]propanenitrile

2-[tert-butyl(ethyl)amino]propanenitrile (PubChem CID 130756537) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-[tert-butyl(ethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-[tert-butyl(ethyl)amino]propanenitrile
PubChem CID130756537
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-[tert-butyl(ethyl)amino]propanenitrile
SMILESCCN(C(C)C#N)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-11(8(2)7-10)9(3,4)5/h8H,6H2,1-5H3
InChIKeyLRVQOLHOSKGADV-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Isopropyl-N-methyl-tert-butylamine
CID 4406926
N,N-Diisopropylaminoacetonitrile
CID 231128
2-(Diethylamino)butanenitrile
CID 573911
2-(Diethylamino)-2-methylpropanenitrile
CID 12570646
3-[Di(propan-2-yl)amino]propanenitrile
CID 19768177
2-(Diethylamino)propanenitrile
CID 11205756
Acetonitril=triethyl amine
CID 21421449
2-(Dipropylamino)butanenitrile
CID 12510990
3-[Methyl(pentan-3-yl)amino]propanenitrile
CID 10511082
3-[Methyl(2-methylbutan-2-yl)amino]propanenitrile
CID 10820789
2-(Diisopropylamino)propionitrile
CID 10997260
2-(Dipropylamino)propanenitrile
CID 12510989

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(ethyl)amino]propanenitrile?
The IUPAC name of 2-[tert-butyl(ethyl)amino]propanenitrile (CID 130756537) is 2-[tert-butyl(ethyl)amino]propanenitrile.
What is the SMILES notation for 2-[tert-butyl(ethyl)amino]propanenitrile?
The canonical SMILES for 2-[tert-butyl(ethyl)amino]propanenitrile is CCN(C(C)C#N)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(ethyl)amino]propanenitrile?
The InChIKey is LRVQOLHOSKGADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-11(8(2)7-10)9(3,4)5/h8H,6H2,1-5H3.
What are the key properties of 2-[tert-butyl(ethyl)amino]propanenitrile?
2-[tert-butyl(ethyl)amino]propanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(ethyl)amino]propanenitrile is sourced from PubChem (CID 130756537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).