3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine

C15H21N3 — CID 62299466

IUPAC3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine
SMILESCCN(c1nc(CN)cc2ccccc12)C(C)C
InChIInChI=1S/C15H21N3/c1-4-18(11(2)3)15-14-8-6-5-7-12(14)9-13(10-16)17-15/h5-9,11H,4,10,16H2,1-3H3
InChIKeyKQMWCSFIQWMIBL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.93
Rot. Bonds4

About 3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine

3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine (PubChem CID 62299466) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine
PubChem CID62299466
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine
SMILESCCN(c1nc(CN)cc2ccccc12)C(C)C
InChIInChI=1S/C15H21N3/c1-4-18(11(2)3)15-14-8-6-5-7-12(14)9-13(10-16)17-15/h5-9,11H,4,10,16H2,1-3H3
InChIKeyKQMWCSFIQWMIBL-UHFFFAOYSA-N
XLogP2.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine
CID 62299999
3-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 55054975
N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine
CID 80944435
N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997412
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine
CID 63938907
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 55054502
3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 62301035
3-(aminomethyl)-N-methyl-N-pentylisoquinolin-1-amine
CID 62298772
2-N,4-N-diethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80776424
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine
CID 62284333
(1-propylisoquinolin-3-yl)methanamine
CID 83527844
3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine
CID 62299114

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine (CID 62299466) is 3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine is CCN(c1nc(CN)cc2ccccc12)C(C)C.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine?
The InChIKey is KQMWCSFIQWMIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-18(11(2)3)15-14-8-6-5-7-12(14)9-13(10-16)17-15/h5-9,11H,4,10,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine?
3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine is sourced from PubChem (CID 62299466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).