(3R)-3-(ethylamino)butanenitrile

C6H12N2 — CID 93383163

IUPAC(3R)-3-(ethylamino)butanenitrile
SMILESCCN[C@H](C)CC#N
InChIInChI=1S/C6H12N2/c1-3-8-6(2)4-5-7/h6,8H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyYBBPZCNNNYZMBH-ZCFIWIBFSA-N
MW112.18 g/mol
LogP0.90
Rot. Bonds3

About (3R)-3-(ethylamino)butanenitrile

(3R)-3-(ethylamino)butanenitrile (PubChem CID 93383163) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (3R)-3-(ethylamino)butanenitrile.

Molecular Properties

Compound Name(3R)-3-(ethylamino)butanenitrile
PubChem CID93383163
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(3R)-3-(ethylamino)butanenitrile
SMILESCCN[C@H](C)CC#N
InChIInChI=1S/C6H12N2/c1-3-8-6(2)4-5-7/h6,8H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyYBBPZCNNNYZMBH-ZCFIWIBFSA-N
XLogP0.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(ethylamino)butanenitrile?
The IUPAC name of (3R)-3-(ethylamino)butanenitrile (CID 93383163) is (3R)-3-(ethylamino)butanenitrile.
What is the SMILES notation for (3R)-3-(ethylamino)butanenitrile?
The canonical SMILES for (3R)-3-(ethylamino)butanenitrile is CCN[C@H](C)CC#N.
What is the InChIKey of (3R)-3-(ethylamino)butanenitrile?
The InChIKey is YBBPZCNNNYZMBH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-8-6(2)4-5-7/h6,8H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-3-(ethylamino)butanenitrile?
(3R)-3-(ethylamino)butanenitrile has a molecular weight of 112.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(ethylamino)butanenitrile is sourced from PubChem (CID 93383163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).