3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

C19H30N2 — CID 106902225

IUPAC3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CCCN(CC2CNc3ccccc3C2)CC1
InChIInChI=1S/C19H30N2/c1-15(2)17-7-5-10-21(11-9-17)14-16-12-18-6-3-4-8-19(18)20-13-16/h3-4,6,8,15-17,20H,5,7,9-14H2,1-2H3
InChIKeyDURVUEJCFHMLLE-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.03
Rot. Bonds3

About 3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106902225) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106902225
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CCCN(CC2CNc3ccccc3C2)CC1
InChIInChI=1S/C19H30N2/c1-15(2)17-7-5-10-21(11-9-17)14-16-12-18-6-3-4-8-19(18)20-13-16/h3-4,6,8,15-17,20H,5,7,9-14H2,1-2H3
InChIKeyDURVUEJCFHMLLE-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106902225) is 3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is CC(C)C1CCCN(CC2CNc3ccccc3C2)CC1.
What is the InChIKey of 3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is DURVUEJCFHMLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)17-7-5-10-21(11-9-17)14-16-12-18-6-3-4-8-19(18)20-13-16/h3-4,6,8,15-17,20H,5,7,9-14H2,1-2H3.
What are the key properties of 3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 286.46 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106902225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).