2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine

C18H25N3 — CID 115485759

IUPAC2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
SMILESCN(Cc1cc(N)c2ccccc2n1)C1CCCCCC1
InChIInChI=1S/C18H25N3/c1-21(15-8-4-2-3-5-9-15)13-14-12-17(19)16-10-6-7-11-18(16)20-14/h6-7,10-12,15H,2-5,8-9,13H2,1H3,(H2,19,20)
InChIKeyIYLFRTFBWYUPIB-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.97
Rot. Bonds3

About 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine

2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine (PubChem CID 115485759) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
PubChem CID115485759
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
SMILESCN(Cc1cc(N)c2ccccc2n1)C1CCCCCC1
InChIInChI=1S/C18H25N3/c1-21(15-8-4-2-3-5-9-15)13-14-12-17(19)16-10-6-7-11-18(16)20-14/h6-7,10-12,15H,2-5,8-9,13H2,1H3,(H2,19,20)
InChIKeyIYLFRTFBWYUPIB-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[benzyl(methyl)amino]methyl]quinolin-4-amine
CID 115485704
2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine
CID 115485707
2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine
CID 115485755
2-[(cyclobutylamino)methyl]quinolin-4-amine
CID 115485862
N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115485894
2-[[ethyl(propyl)amino]methyl]quinolin-4-amine
CID 113319911
2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine
CID 112661176
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375463
2-[(2-methylpyrrolidin-1-yl)methyl]quinolin-4-amine
CID 113319913
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine
CID 79233798

Frequently Asked Questions

What is the IUPAC name of 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine?
The IUPAC name of 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine (CID 115485759) is 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine.
What is the SMILES notation for 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine?
The canonical SMILES for 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine is CN(Cc1cc(N)c2ccccc2n1)C1CCCCCC1.
What is the InChIKey of 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine?
The InChIKey is IYLFRTFBWYUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-21(15-8-4-2-3-5-9-15)13-14-12-17(19)16-10-6-7-11-18(16)20-14/h6-7,10-12,15H,2-5,8-9,13H2,1H3,(H2,19,20).
What are the key properties of 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine?
2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine is sourced from PubChem (CID 115485759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).