3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine

C16H20N2 — CID 115639548

IUPAC3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESc1cnc2ccc(CNCCCC3CC3)cc2c1
InChIInChI=1S/C16H20N2/c1(3-13-5-6-13)9-17-12-14-7-8-16-15(11-14)4-2-10-18-16/h2,4,7-8,10-11,13,17H,1,3,5-6,9,12H2
InChIKeyZRPGJDKATWUTIS-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.51
Rot. Bonds6

About 3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine

3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine (PubChem CID 115639548) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine
PubChem CID115639548
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESc1cnc2ccc(CNCCCC3CC3)cc2c1
InChIInChI=1S/C16H20N2/c1(3-13-5-6-13)9-17-12-14-7-8-16-15(11-14)4-2-10-18-16/h2,4,7-8,10-11,13,17H,1,3,5-6,9,12H2
InChIKeyZRPGJDKATWUTIS-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 106008790
3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 60657424
2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine
CID 61070929
N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
CID 43546001
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
N-(quinolin-6-ylmethyl)thian-4-amine
CID 115615624
5-[(3-cyclopropylpropylamino)methyl]-2-fluorobenzonitrile
CID 114012165
3-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639607
2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
CID 107850850
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine (CID 115639548) is 3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine is c1cnc2ccc(CNCCCC3CC3)cc2c1.
What is the InChIKey of 3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The InChIKey is ZRPGJDKATWUTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1(3-13-5-6-13)9-17-12-14-7-8-16-15(11-14)4-2-10-18-16/h2,4,7-8,10-11,13,17H,1,3,5-6,9,12H2.
What are the key properties of 3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine?
3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 115639548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).