1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine

C16H20N2 — CID 113234893

IUPAC1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine
SMILESCC1(C)CC1CNCc1cnc2ccccc2c1
InChIInChI=1S/C16H20N2/c1-16(2)8-14(16)11-17-9-12-7-13-5-3-4-6-15(13)18-10-12/h3-7,10,14,17H,8-9,11H2,1-2H3
InChIKeyDNUMYDBNCMBFFU-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.37
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine

1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine (PubChem CID 113234893) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine
PubChem CID113234893
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine
SMILESCC1(C)CC1CNCc1cnc2ccccc2c1
InChIInChI=1S/C16H20N2/c1-16(2)8-14(16)11-17-9-12-7-13-5-3-4-6-15(13)18-10-12/h3-7,10,14,17H,8-9,11H2,1-2H3
InChIKeyDNUMYDBNCMBFFU-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine (CID 113234893) is 1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine is CC1(C)CC1CNCc1cnc2ccccc2c1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine?
The InChIKey is DNUMYDBNCMBFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(2)8-14(16)11-17-9-12-7-13-5-3-4-6-15(13)18-10-12/h3-7,10,14,17H,8-9,11H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine?
1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-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-(quinolin-3-ylmethyl)methanamine is sourced from PubChem (CID 113234893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).