3-[ethyl(propan-2-yl)amino]pentanenitrile

C10H20N2 — CID 43265764

IUPAC3-[ethyl(propan-2-yl)amino]pentanenitrile
SMILESCCC(CC#N)N(CC)C(C)C
InChIInChI=1S/C10H20N2/c1-5-10(7-8-11)12(6-2)9(3)4/h9-10H,5-7H2,1-4H3
InChIKeyUOUKMUNOMMPDQD-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.41
Rot. Bonds5

About 3-[ethyl(propan-2-yl)amino]pentanenitrile

3-[ethyl(propan-2-yl)amino]pentanenitrile (PubChem CID 43265764) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-[ethyl(propan-2-yl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[ethyl(propan-2-yl)amino]pentanenitrile
PubChem CID43265764
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-[ethyl(propan-2-yl)amino]pentanenitrile
SMILESCCC(CC#N)N(CC)C(C)C
InChIInChI=1S/C10H20N2/c1-5-10(7-8-11)12(6-2)9(3)4/h9-10H,5-7H2,1-4H3
InChIKeyUOUKMUNOMMPDQD-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Diethylaminobutyronitrile
CID 79262
3-(Dipropylamino)propiononitrile
CID 88674
4-Dipropylaminobutyronitrile
CID 98747
N,N-Diisopropylaminoacetonitrile
CID 231128
4-(Dibutylamino)butyronitrile
CID 52348
4-Diisopropylaminobutyronitrile
CID 83775
2-(Diethylamino)butanenitrile
CID 573911
2-(Diethylamino)pentanenitrile
CID 140520
5-(Diethylamino)pentanenitrile
CID 559481
3-(Methyl(propan-2-yl)amino)propanenitrile
CID 10486859
3-(Dimethylamino)butanenitrile
CID 13418386
3-[Di(propan-2-yl)amino]propanenitrile
CID 19768177

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propan-2-yl)amino]pentanenitrile?
The IUPAC name of 3-[ethyl(propan-2-yl)amino]pentanenitrile (CID 43265764) is 3-[ethyl(propan-2-yl)amino]pentanenitrile.
What is the SMILES notation for 3-[ethyl(propan-2-yl)amino]pentanenitrile?
The canonical SMILES for 3-[ethyl(propan-2-yl)amino]pentanenitrile is CCC(CC#N)N(CC)C(C)C.
What is the InChIKey of 3-[ethyl(propan-2-yl)amino]pentanenitrile?
The InChIKey is UOUKMUNOMMPDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-10(7-8-11)12(6-2)9(3)4/h9-10H,5-7H2,1-4H3.
What are the key properties of 3-[ethyl(propan-2-yl)amino]pentanenitrile?
3-[ethyl(propan-2-yl)amino]pentanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propan-2-yl)amino]pentanenitrile is sourced from PubChem (CID 43265764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).