ethane;3-(ethylamino)pentanenitrile

C9H20N2 — CID 143717040

IUPACethane;3-(ethylamino)pentanenitrile
SMILESCC.CCNC(CC)CC#N
InChIInChI=1S/C7H14N2.C2H6/c1-3-7(5-6-8)9-4-2;1-2/h7,9H,3-5H2,1-2H3;1-2H3
InChIKeyNNRRJXOLXMMEEG-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.31
Rot. Bonds4

About ethane;3-(ethylamino)pentanenitrile

ethane;3-(ethylamino)pentanenitrile (PubChem CID 143717040) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;3-(ethylamino)pentanenitrile.

Molecular Properties

Compound Nameethane;3-(ethylamino)pentanenitrile
PubChem CID143717040
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;3-(ethylamino)pentanenitrile
SMILESCC.CCNC(CC)CC#N
InChIInChI=1S/C7H14N2.C2H6/c1-3-7(5-6-8)9-4-2;1-2/h7,9H,3-5H2,1-2H3;1-2H3
InChIKeyNNRRJXOLXMMEEG-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Propan-2-yl)amino]propanenitrile
CID 136494
3-(Pentylamino)propanenitrile
CID 2760311
3,3'-Azanediyldibutanenitrile
CID 56035
3-(Methylamino)butanenitrile
CID 12438035
2-(Methylamino)pentanenitrile
CID 15677233
2-[2-(1-Cyanopropylamino)ethylamino]butanenitrile
CID 469951
Butane, 1-(2-cyano)ethylamino-
CID 21418006
2-(Methylamino)butanenitrile
CID 13062961
2-(Propylamino)propanenitrile
CID 12724398
2-(Ethylamino)butanenitrile
CID 13758360
2-(Hexylamino)propanenitrile
CID 21433216
2-Ethyl-2-(ethylamino)butanenitrile
CID 33787729

Frequently Asked Questions

What is the IUPAC name of ethane;3-(ethylamino)pentanenitrile?
The IUPAC name of ethane;3-(ethylamino)pentanenitrile (CID 143717040) is ethane;3-(ethylamino)pentanenitrile.
What is the SMILES notation for ethane;3-(ethylamino)pentanenitrile?
The canonical SMILES for ethane;3-(ethylamino)pentanenitrile is CC.CCNC(CC)CC#N.
What is the InChIKey of ethane;3-(ethylamino)pentanenitrile?
The InChIKey is NNRRJXOLXMMEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-3-7(5-6-8)9-4-2;1-2/h7,9H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(ethylamino)pentanenitrile?
ethane;3-(ethylamino)pentanenitrile has a molecular weight of 156.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(ethylamino)pentanenitrile is sourced from PubChem (CID 143717040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).