2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H23N3 — CID 63656342

IUPAC2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(CC1CCCC1)c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C17H23N3/c1-20(12-13-6-2-3-7-13)17-15(11-18)10-14-8-4-5-9-16(14)19-17/h10,13H,2-9,12H2,1H3
InChIKeyDMQXHAQDRLWCOZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.46
Rot. Bonds3

About 2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 63656342) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID63656342
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(CC1CCCC1)c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C17H23N3/c1-20(12-13-6-2-3-7-13)17-15(11-18)10-14-8-4-5-9-16(14)19-17/h10,13H,2-9,12H2,1H3
InChIKeyDMQXHAQDRLWCOZ-UHFFFAOYSA-N
XLogP3.46
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 63656342) is 2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CN(CC1CCCC1)c1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is DMQXHAQDRLWCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-20(12-13-6-2-3-7-13)17-15(11-18)10-14-8-4-5-9-16(14)19-17/h10,13H,2-9,12H2,1H3.
What are the key properties of 2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 269.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 63656342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).