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

C18H29N3 — CID 58689760

IUPAC3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine
SMILESCCN(CC1CCCC1)c1nc2c(cc1CN)CCCC2
InChIInChI=1S/C18H29N3/c1-2-21(13-14-7-3-4-8-14)18-16(12-19)11-15-9-5-6-10-17(15)20-18/h11,14H,2-10,12-13,19H2,1H3
InChIKeyPTHYOPYVHVSMNN-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.44
Rot. Bonds5

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

3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine (PubChem CID 58689760) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine
PubChem CID58689760
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine
SMILESCCN(CC1CCCC1)c1nc2c(cc1CN)CCCC2
InChIInChI=1S/C18H29N3/c1-2-21(13-14-7-3-4-8-14)18-16(12-19)11-15-9-5-6-10-17(15)20-18/h11,14H,2-10,12-13,19H2,1H3
InChIKeyPTHYOPYVHVSMNN-UHFFFAOYSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine (CID 58689760) is 3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine is CCN(CC1CCCC1)c1nc2c(cc1CN)CCCC2.
What is the InChIKey of 3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine?
The InChIKey is PTHYOPYVHVSMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-21(13-14-7-3-4-8-14)18-16(12-19)11-15-9-5-6-10-17(15)20-18/h11,14H,2-10,12-13,19H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine?
3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine is sourced from PubChem (CID 58689760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).