4-N-(cyclopropylmethyl)quinoline-3,4-diamine

C13H15N3 — CID 103962731

IUPAC4-N-(cyclopropylmethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCC1CC1
InChIInChI=1S/C13H15N3/c14-11-8-15-12-4-2-1-3-10(12)13(11)16-7-9-5-6-9/h1-4,8-9H,5-7,14H2,(H,15,16)
InChIKeyRZQLXFLSRLOLNT-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.64
Rot. Bonds3

About 4-N-(cyclopropylmethyl)quinoline-3,4-diamine

4-N-(cyclopropylmethyl)quinoline-3,4-diamine (PubChem CID 103962731) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)quinoline-3,4-diamine
PubChem CID103962731
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-N-(cyclopropylmethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCC1CC1
InChIInChI=1S/C13H15N3/c14-11-8-15-12-4-2-1-3-10(12)13(11)16-7-9-5-6-9/h1-4,8-9H,5-7,14H2,(H,15,16)
InChIKeyRZQLXFLSRLOLNT-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120256
4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine
CID 103963155
2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103963415
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
N-[(4-aminocyclohexyl)methyl]acridin-9-amine
CID 59230418
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310
4-N-cyclohexylquinoline-3,4-diamine
CID 103962725
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)quinoline-3,4-diamine (CID 103962731) is 4-N-(cyclopropylmethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)quinoline-3,4-diamine is Nc1cnc2ccccc2c1NCC1CC1.
What is the InChIKey of 4-N-(cyclopropylmethyl)quinoline-3,4-diamine?
The InChIKey is RZQLXFLSRLOLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-11-8-15-12-4-2-1-3-10(12)13(11)16-7-9-5-6-9/h1-4,8-9H,5-7,14H2,(H,15,16).
What are the key properties of 4-N-(cyclopropylmethyl)quinoline-3,4-diamine?
4-N-(cyclopropylmethyl)quinoline-3,4-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)quinoline-3,4-diamine is sourced from PubChem (CID 103962731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).