3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine

C16H21N3 — CID 63938907

IUPAC3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine
SMILESCCN(CC1CC1)c1nc(CN)cc2ccccc12
InChIInChI=1S/C16H21N3/c1-2-19(11-12-7-8-12)16-15-6-4-3-5-13(15)9-14(10-17)18-16/h3-6,9,12H,2,7-8,10-11,17H2,1H3
InChIKeyHDWVZHPDZVHNDV-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.93
Rot. Bonds5

About 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine

3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine (PubChem CID 63938907) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine
PubChem CID63938907
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine
SMILESCCN(CC1CC1)c1nc(CN)cc2ccccc12
InChIInChI=1S/C16H21N3/c1-2-19(11-12-7-8-12)16-15-6-4-3-5-13(15)9-14(10-17)18-16/h3-6,9,12H,2,7-8,10-11,17H2,1H3
InChIKeyHDWVZHPDZVHNDV-UHFFFAOYSA-N
XLogP2.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine?
The IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine (CID 63938907) is 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine?
The canonical SMILES for 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine is CCN(CC1CC1)c1nc(CN)cc2ccccc12.
What is the InChIKey of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine?
The InChIKey is HDWVZHPDZVHNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-19(11-12-7-8-12)16-15-6-4-3-5-13(15)9-14(10-17)18-16/h3-6,9,12H,2,7-8,10-11,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine?
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine has a molecular weight of 255.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine is sourced from PubChem (CID 63938907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).