2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine

C13H17N3 — CID 82241858

IUPAC2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine
SMILESCc1c(CN)nc2ccccc2c1N(C)C
InChIInChI=1S/C13H17N3/c1-9-12(8-14)15-11-7-5-4-6-10(11)13(9)16(2)3/h4-7H,8,14H2,1-3H3
InChIKeyKEQRTPABFMMOFC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.07
Rot. Bonds2

About 2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine

2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine (PubChem CID 82241858) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine
PubChem CID82241858
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine
SMILESCc1c(CN)nc2ccccc2c1N(C)C
InChIInChI=1S/C13H17N3/c1-9-12(8-14)15-11-7-5-4-6-10(11)13(9)16(2)3/h4-7H,8,14H2,1-3H3
InChIKeyKEQRTPABFMMOFC-UHFFFAOYSA-N
XLogP2.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylquinazolin-4-yl)methanamine
CID 23008719
4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443
(3-methylquinoxalin-2-yl)methanamine
CID 69010105
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
acridin-9-ylmethanamine;hydrochloride
CID 146014034
N,N-dimethyl-[1]benzofuro[3,2-b]quinolin-11-amine;hydrochloride
CID 51060080
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
4-(aminomethyl)-N-methyl-N-propylquinolin-2-amine
CID 62300858
4-(aminomethyl)-N,N-diethylquinolin-2-amine
CID 62299448
2-(2-methylquinazolin-4-yl)ethanamine
CID 82372179
N,N,4-trimethylquinazolin-2-amine
CID 119091997
N-acetyl-N-acridin-9-ylacetamide
CID 138324602

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine (CID 82241858) is 2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine is Cc1c(CN)nc2ccccc2c1N(C)C.
What is the InChIKey of 2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine?
The InChIKey is KEQRTPABFMMOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-12(8-14)15-11-7-5-4-6-10(11)13(9)16(2)3/h4-7H,8,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine?
2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N,3-trimethylquinolin-4-amine is sourced from PubChem (CID 82241858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).