2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H24N4 — CID 79113654

IUPAC2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(c1nc2c(cc1C#N)CCCC2)C1CCC(N)CC1
InChIInChI=1S/C17H24N4/c1-21(15-8-6-14(19)7-9-15)17-13(11-18)10-12-4-2-3-5-16(12)20-17/h10,14-15H,2-9,19H2,1H3
InChIKeyPYELGJJKKOLQED-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.54
Rot. Bonds2

About 2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 79113654) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID79113654
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(c1nc2c(cc1C#N)CCCC2)C1CCC(N)CC1
InChIInChI=1S/C17H24N4/c1-21(15-8-6-14(19)7-9-15)17-13(11-18)10-12-4-2-3-5-16(12)20-17/h10,14-15H,2-9,19H2,1H3
InChIKeyPYELGJJKKOLQED-UHFFFAOYSA-N
XLogP2.54
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 79113654) is 2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CN(c1nc2c(cc1C#N)CCCC2)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is PYELGJJKKOLQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-21(15-8-6-14(19)7-9-15)17-13(11-18)10-12-4-2-3-5-16(12)20-17/h10,14-15H,2-9,19H2,1H3.
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 284.41 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 79113654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).