3-(1-methoxypropan-2-ylamino)butanenitrile

C8H16N2O — CID 60914477

IUPAC3-(1-methoxypropan-2-ylamino)butanenitrile
SMILESCOCC(C)NC(C)CC#N
InChIInChI=1S/C8H16N2O/c1-7(4-5-9)10-8(2)6-11-3/h7-8,10H,4,6H2,1-3H3
InChIKeyNCCBTVWXUHXPDU-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.91
Rot. Bonds5

About 3-(1-methoxypropan-2-ylamino)butanenitrile

3-(1-methoxypropan-2-ylamino)butanenitrile (PubChem CID 60914477) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylamino)butanenitrile
PubChem CID60914477
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(1-methoxypropan-2-ylamino)butanenitrile
SMILESCOCC(C)NC(C)CC#N
InChIInChI=1S/C8H16N2O/c1-7(4-5-9)10-8(2)6-11-3/h7-8,10H,4,6H2,1-3H3
InChIKeyNCCBTVWXUHXPDU-UHFFFAOYSA-N
XLogP0.91
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propanamine, N,N'-(oxydi-2,1-ethanediyl)bis-
CID 469935
N-(2-methoxyethyl)butan-2-amine
CID 43190188
(2-Methoxyethyl)(pentan-3-yl)amine
CID 28426026
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]butanenitrile
CID 63826814
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]pentanenitrile
CID 63827871
2-[2-(2,2,2-Trifluoroethoxy)ethylamino]butanenitrile
CID 63828761
2-(Propylamino)-3-(4,4,4-trifluorobutoxy)propanenitrile
CID 82789344
3-[2-(2,2-Difluoroethoxy)ethylamino]butanenitrile
CID 103080624
2-[2-(2,2-Difluoroethoxy)ethylamino]butanenitrile
CID 103080649
3-[2-(2,2-Difluoroethoxy)ethylamino]pentanenitrile
CID 105910795
2-[(1-Cyano-2-methoxyethyl)amino]-3-methoxypropanenitrile
CID 86102818
3-[(2-Methoxyethyl)amino]propanenitrile
CID 12220835

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylamino)butanenitrile?
The IUPAC name of 3-(1-methoxypropan-2-ylamino)butanenitrile (CID 60914477) is 3-(1-methoxypropan-2-ylamino)butanenitrile.
What is the SMILES notation for 3-(1-methoxypropan-2-ylamino)butanenitrile?
The canonical SMILES for 3-(1-methoxypropan-2-ylamino)butanenitrile is COCC(C)NC(C)CC#N.
What is the InChIKey of 3-(1-methoxypropan-2-ylamino)butanenitrile?
The InChIKey is NCCBTVWXUHXPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(4-5-9)10-8(2)6-11-3/h7-8,10H,4,6H2,1-3H3.
What are the key properties of 3-(1-methoxypropan-2-ylamino)butanenitrile?
3-(1-methoxypropan-2-ylamino)butanenitrile has a molecular weight of 156.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylamino)butanenitrile is sourced from PubChem (CID 60914477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).