(2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile

C14H19N3 — CID 101120061

IUPAC(2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile
SMILESCCN(CC)[C@H]1C[C@H](C#N)Nc2ccccc21
InChIInChI=1S/C14H19N3/c1-3-17(4-2)14-9-11(10-15)16-13-8-6-5-7-12(13)14/h5-8,11,14,16H,3-4,9H2,1-2H3/t11-,14+/m1/s1
InChIKeySIBHWIJVOIGQBU-RISCZKNCSA-N
MW229.33 g/mol
LogP2.78
Rot. Bonds3

About (2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile

(2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile (PubChem CID 101120061) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile.

Molecular Properties

Compound Name(2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile
PubChem CID101120061
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile
SMILESCCN(CC)[C@H]1C[C@H](C#N)Nc2ccccc21
InChIInChI=1S/C14H19N3/c1-3-17(4-2)14-9-11(10-15)16-13-8-6-5-7-12(13)14/h5-8,11,14,16H,3-4,9H2,1-2H3/t11-,14+/m1/s1
InChIKeySIBHWIJVOIGQBU-RISCZKNCSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 66607984
1,2,3,4-tetrahydroquinoxaline-2-carbonitrile
CID 69166639
3-(N-ethylanilino)cyclopentane-1-carbonitrile
CID 66606941
(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168642
N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 16638534
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide
CID 793420
2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 43291873
(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 131014008
(2S,3R,4R)-3,4-dihydroxy-1,2,3,4-tetrahydroquinoline-2-carbonitrile
CID 90662612
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine
CID 102998678
(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 95970001
N,N-diethyl-9H-fluoren-9-amine
CID 11481796

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile?
The IUPAC name of (2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile (CID 101120061) is (2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile.
What is the SMILES notation for (2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile?
The canonical SMILES for (2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile is CCN(CC)[C@H]1C[C@H](C#N)Nc2ccccc21.
What is the InChIKey of (2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile?
The InChIKey is SIBHWIJVOIGQBU-RISCZKNCSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-17(4-2)14-9-11(10-15)16-13-8-6-5-7-12(13)14/h5-8,11,14,16H,3-4,9H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of (2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile?
(2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(diethylamino)-1,2,3,4-tetrahydroquinoline-2-carbonitrile is sourced from PubChem (CID 101120061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).