3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine

C18H25N3 — CID 43614276

IUPAC3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
SMILESCN(c1nc2ccccc2cc1CN)C1CCCCCC1
InChIInChI=1S/C18H25N3/c1-21(16-9-4-2-3-5-10-16)18-15(13-19)12-14-8-6-7-11-17(14)20-18/h6-8,11-12,16H,2-5,9-10,13,19H2,1H3
InChIKeySFCSMVUCAOHVEQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.85
Rot. Bonds3

About 3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine

3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine (PubChem CID 43614276) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
PubChem CID43614276
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
SMILESCN(c1nc2ccccc2cc1CN)C1CCCCCC1
InChIInChI=1S/C18H25N3/c1-21(16-9-4-2-3-5-10-16)18-15(13-19)12-14-8-6-7-11-17(14)20-18/h6-8,11-12,16H,2-5,9-10,13,19H2,1H3
InChIKeySFCSMVUCAOHVEQ-UHFFFAOYSA-N
XLogP3.85
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine
CID 102985570
3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
CID 61445208
3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 62301035
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylquinolin-2-amine
CID 43281662
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
CID 107081479
3-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylquinolin-2-amine
CID 63783602
2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol
CID 113425934
3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine
CID 63784426
3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine
CID 102987398
3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine
CID 43269833
4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058
3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine
CID 43541407

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine (CID 43614276) is 3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine is CN(c1nc2ccccc2cc1CN)C1CCCCCC1.
What is the InChIKey of 3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine?
The InChIKey is SFCSMVUCAOHVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-21(16-9-4-2-3-5-10-16)18-15(13-19)12-14-8-6-7-11-17(14)20-18/h6-8,11-12,16H,2-5,9-10,13,19H2,1H3.
What are the key properties of 3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine?
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine is sourced from PubChem (CID 43614276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).