1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine

C16H20N2 — CID 113381730

IUPAC1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine
SMILESCC1(C)CC1CNCc1cccc2cnccc12
InChIInChI=1S/C16H20N2/c1-16(2)8-14(16)11-18-10-13-5-3-4-12-9-17-7-6-15(12)13/h3-7,9,14,18H,8,10-11H2,1-2H3
InChIKeyOMKISIHMOVGQRY-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.37
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine

1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine (PubChem CID 113381730) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine
PubChem CID113381730
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine
SMILESCC1(C)CC1CNCc1cccc2cnccc12
InChIInChI=1S/C16H20N2/c1-16(2)8-14(16)11-18-10-13-5-3-4-12-9-17-7-6-15(12)13/h3-7,9,14,18H,8,10-11H2,1-2H3
InChIKeyOMKISIHMOVGQRY-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 55118761
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62825481
1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115558
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123185
1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 62823191
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine
CID 62823710
1-N-(isoquinolin-5-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 62824247
N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694147
N-(isoquinolin-5-ylmethyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62823909

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine (CID 113381730) is 1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine is CC1(C)CC1CNCc1cccc2cnccc12.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine?
The InChIKey is OMKISIHMOVGQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(2)8-14(16)11-18-10-13-5-3-4-12-9-17-7-6-15(12)13/h3-7,9,14,18H,8,10-11H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine?
1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine has a molecular weight of 240.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine is sourced from PubChem (CID 113381730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).