2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine

C17H21N3 — CID 115485809

IUPAC2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine
SMILESNc1cc(CNC(C2CC2)C2CC2)nc2ccccc12
InChIInChI=1S/C17H21N3/c18-15-9-13(20-16-4-2-1-3-14(15)16)10-19-17(11-5-6-11)12-7-8-12/h1-4,9,11-12,17,19H,5-8,10H2,(H2,18,20)
InChIKeyHINJGWGHWAYXNR-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.10
Rot. Bonds5

About 2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine

2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine (PubChem CID 115485809) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine
PubChem CID115485809
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine
SMILESNc1cc(CNC(C2CC2)C2CC2)nc2ccccc12
InChIInChI=1S/C17H21N3/c18-15-9-13(20-16-4-2-1-3-14(15)16)10-19-17(11-5-6-11)12-7-8-12/h1-4,9,11-12,17,19H,5-8,10H2,(H2,18,20)
InChIKeyHINJGWGHWAYXNR-UHFFFAOYSA-N
XLogP3.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(cyclobutylamino)methyl]quinolin-4-amine
CID 115485862
2-[(heptan-2-ylamino)methyl]quinolin-4-amine
CID 115485806
3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine
CID 61480575
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine
CID 115485916
2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
CID 115485759
2-(methoxymethyl)quinolin-4-amine
CID 62320068
N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581
2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine
CID 115485883
2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine
CID 115520378
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide
CID 115485639
2-[(2-methylpyrrolidin-1-yl)methyl]quinolin-4-amine
CID 113319913
2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine
CID 115485755

Frequently Asked Questions

What is the IUPAC name of 2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine?
The IUPAC name of 2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine (CID 115485809) is 2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine.
What is the SMILES notation for 2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine?
The canonical SMILES for 2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine is Nc1cc(CNC(C2CC2)C2CC2)nc2ccccc12.
What is the InChIKey of 2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine?
The InChIKey is HINJGWGHWAYXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-15-9-13(20-16-4-2-1-3-14(15)16)10-19-17(11-5-6-11)12-7-8-12/h1-4,9,11-12,17,19H,5-8,10H2,(H2,18,20).
What are the key properties of 2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine?
2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine is sourced from PubChem (CID 115485809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).