N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine

C17H22N2 — CID 107004399

IUPACN-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine
SMILESCCNC(c1cccc2cnccc12)C1CC1(C)C
InChIInChI=1S/C17H22N2/c1-4-19-16(15-10-17(15,2)3)14-7-5-6-12-11-18-9-8-13(12)14/h5-9,11,15-16,19H,4,10H2,1-3H3
InChIKeyLDYTZGWQIQHOJF-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.93
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine

N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine (PubChem CID 107004399) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine
PubChem CID107004399
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine
SMILESCCNC(c1cccc2cnccc12)C1CC1(C)C
InChIInChI=1S/C17H22N2/c1-4-19-16(15-10-17(15,2)3)14-7-5-6-12-11-18-9-8-13(12)14/h5-9,11,15-16,19H,4,10H2,1-3H3
InChIKeyLDYTZGWQIQHOJF-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1,4-dioxan-2-yl(isoquinolin-5-yl)methyl]ethanamine
CID 65352590
1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 107005206
N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830050
N-[isoquinolin-5-yl-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445253
N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
CID 105143467
N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine
CID 105143581
1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115852970
N-[(3-iodophenyl)-isoquinolin-5-ylmethyl]ethanamine
CID 115853165
[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105233617
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 107004989
4-ethoxy-N-ethyl-1-isoquinolin-5-ylbutan-1-amine
CID 105143482

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine (CID 107004399) is N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine is CCNC(c1cccc2cnccc12)C1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine?
The InChIKey is LDYTZGWQIQHOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-19-16(15-10-17(15,2)3)14-7-5-6-12-11-18-9-8-13(12)14/h5-9,11,15-16,19H,4,10H2,1-3H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine?
N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine is sourced from PubChem (CID 107004399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).