3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine

C17H27N3 — CID 114543487

IUPAC3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine
SMILESCC1(C)CCC(Nc2nc3c(cc2CN)CCCC3)C1
InChIInChI=1S/C17H27N3/c1-17(2)8-7-14(10-17)19-16-13(11-18)9-12-5-3-4-6-15(12)20-16/h9,14H,3-8,10-11,18H2,1-2H3,(H,19,20)
InChIKeyAHDZZRDBDAUCMN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.41
Rot. Bonds3

About 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine

3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine (PubChem CID 114543487) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine
PubChem CID114543487
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine
SMILESCC1(C)CCC(Nc2nc3c(cc2CN)CCCC3)C1
InChIInChI=1S/C17H27N3/c1-17(2)8-7-14(10-17)19-16-13(11-18)9-12-5-3-4-6-15(12)20-16/h9,14H,3-8,10-11,18H2,1-2H3,(H,19,20)
InChIKeyAHDZZRDBDAUCMN-UHFFFAOYSA-N
XLogP3.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine (CID 114543487) is 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine is CC1(C)CCC(Nc2nc3c(cc2CN)CCCC3)C1.
What is the InChIKey of 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine?
The InChIKey is AHDZZRDBDAUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(2)8-7-14(10-17)19-16-13(11-18)9-12-5-3-4-6-15(12)20-16/h9,14H,3-8,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine?
3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine is sourced from PubChem (CID 114543487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).