N-(quinolin-2-ylmethyl)pentan-3-amine

C15H20N2 — CID 28774778

IUPACN-(quinolin-2-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCc1ccc2ccccc2n1
InChIInChI=1S/C15H20N2/c1-3-13(4-2)16-11-14-10-9-12-7-5-6-8-15(12)17-14/h5-10,13,16H,3-4,11H2,1-2H3
InChIKeyNFZZWIRYPYTPNQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.51
Rot. Bonds5

About N-(quinolin-2-ylmethyl)pentan-3-amine

N-(quinolin-2-ylmethyl)pentan-3-amine (PubChem CID 28774778) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(quinolin-2-ylmethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(quinolin-2-ylmethyl)pentan-3-amine
PubChem CID28774778
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-(quinolin-2-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCc1ccc2ccccc2n1
InChIInChI=1S/C15H20N2/c1-3-13(4-2)16-11-14-10-9-12-7-5-6-8-15(12)17-14/h5-10,13,16H,3-4,11H2,1-2H3
InChIKeyNFZZWIRYPYTPNQ-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(quinolin-2-ylmethyl)pentan-3-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

N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967
N-(quinolin-2-ylmethyl)hex-1-yn-3-amine
CID 106227146
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 115654305
1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine
CID 114210236
3-methyl-2-(quinolin-2-ylmethylamino)butanamide
CID 103699285
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
(1R)-1-cyclopentyl-N-(quinolin-2-ylmethyl)ethanamine
CID 81395320
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
N-propyl-1-quinolin-2-ylpentan-2-amine
CID 63198598

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-2-ylmethyl)pentan-3-amine?
The IUPAC name of N-(quinolin-2-ylmethyl)pentan-3-amine (CID 28774778) is N-(quinolin-2-ylmethyl)pentan-3-amine.
What is the SMILES notation for N-(quinolin-2-ylmethyl)pentan-3-amine?
The canonical SMILES for N-(quinolin-2-ylmethyl)pentan-3-amine is CCC(CC)NCc1ccc2ccccc2n1.
What is the InChIKey of N-(quinolin-2-ylmethyl)pentan-3-amine?
The InChIKey is NFZZWIRYPYTPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-13(4-2)16-11-14-10-9-12-7-5-6-8-15(12)17-14/h5-10,13,16H,3-4,11H2,1-2H3.
What are the key properties of N-(quinolin-2-ylmethyl)pentan-3-amine?
N-(quinolin-2-ylmethyl)pentan-3-amine has a molecular weight of 228.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-2-ylmethyl)pentan-3-amine is sourced from PubChem (CID 28774778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).