N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine

C18H25N3 — CID 106620738

IUPACN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
SMILESCC(C)CN(CC1CCCN1)c1ccnc2ccccc12
InChIInChI=1S/C18H25N3/c1-14(2)12-21(13-15-6-5-10-19-15)18-9-11-20-17-8-4-3-7-16(17)18/h3-4,7-9,11,14-15,19H,5-6,10,12-13H2,1-2H3
InChIKeyKWUPPICVCHKUQI-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.45
Rot. Bonds5

About N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine (PubChem CID 106620738) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
PubChem CID106620738
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
SMILESCC(C)CN(CC1CCCN1)c1ccnc2ccccc12
InChIInChI=1S/C18H25N3/c1-14(2)12-21(13-15-6-5-10-19-15)18-9-11-20-17-8-4-3-7-16(17)18/h3-4,7-9,11,14-15,19H,5-6,10,12-13H2,1-2H3
InChIKeyKWUPPICVCHKUQI-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol
CID 106621399
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
CID 106620526
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 106620694
N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106620644
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106620669
3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620786
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106620797
6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine
CID 106619114
3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine
CID 106620751
N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 106619613
4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620566

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?
The IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine (CID 106620738) is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine is CC(C)CN(CC1CCCN1)c1ccnc2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?
The InChIKey is KWUPPICVCHKUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)12-21(13-15-6-5-10-19-15)18-9-11-20-17-8-4-3-7-16(17)18/h3-4,7-9,11,14-15,19H,5-6,10,12-13H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 106620738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).