3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine

C16H23N3 — CID 43669373

IUPAC3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
SMILESCCCCCN(C)c1c(CN)cnc2ccccc12
InChIInChI=1S/C16H23N3/c1-3-4-7-10-19(2)16-13(11-17)12-18-15-9-6-5-8-14(15)16/h5-6,8-9,12H,3-4,7,10-11,17H2,1-2H3
InChIKeyIFGUMQZWOXGCMQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.32
Rot. Bonds6

About 3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine

3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine (PubChem CID 43669373) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
PubChem CID43669373
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
SMILESCCCCCN(C)c1c(CN)cnc2ccccc12
InChIInChI=1S/C16H23N3/c1-3-4-7-10-19(2)16-13(11-17)12-18-15-9-6-5-8-14(15)16/h5-6,8-9,12H,3-4,7,10-11,17H2,1-2H3
InChIKeyIFGUMQZWOXGCMQ-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
CID 114230085
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81052877
3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine
CID 43669369
3-(aminomethyl)-N,N-diethylquinolin-4-amine
CID 43669325
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
4-[methyl(pentyl)amino]quinoline-3-carboximidamide
CID 43669819
3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine
CID 43669395
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106914487
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
CID 115319371
N-methyl-3-(methylideneamino)-N-propylquinolin-4-amine
CID 166969759
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106776207
4-(aminomethyl)-N-methyl-N-propylquinolin-2-amine
CID 62300858

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine (CID 43669373) is 3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine is CCCCCN(C)c1c(CN)cnc2ccccc12.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine?
The InChIKey is IFGUMQZWOXGCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-7-10-19(2)16-13(11-17)12-18-15-9-6-5-8-14(15)16/h5-6,8-9,12H,3-4,7,10-11,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine?
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine is sourced from PubChem (CID 43669373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).