azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine

C21H33FN4 — CID 175363192

IUPACazane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NC(c1ccnc2ccc(F)cc12)C1CCNCC1.N
InChIInChI=1S/C21H30FN3.H3N/c1-4-21(3,5-2)25-20(15-8-11-23-12-9-15)17-10-13-24-19-7-6-16(22)14-18(17)19;/h6-7,10,13-15,20,23,25H,4-5,8-9,11-12H2,1-3H3;1H3
InChIKeyCFEPITQCIUSFLQ-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.74
Rot. Bonds6

About azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine

azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine (PubChem CID 175363192) has the molecular formula C21H33FN4 and a molecular weight of 360.52 g/mol. Its IUPAC name is azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine.

Molecular Properties

Compound Nameazane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine
PubChem CID175363192
Molecular FormulaC21H33FN4
Molecular Weight360.52 g/mol
Exact Mass360.27
IUPAC Nameazane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NC(c1ccnc2ccc(F)cc12)C1CCNCC1.N
InChIInChI=1S/C21H30FN3.H3N/c1-4-21(3,5-2)25-20(15-8-11-23-12-9-15)17-10-13-24-19-7-6-16(22)14-18(17)19;/h6-7,10,13-15,20,23,25H,4-5,8-9,11-12H2,1-3H3;1H3
InChIKeyCFEPITQCIUSFLQ-UHFFFAOYSA-N
XLogP4.74
TPSA71.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine with MolForge

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Related Compounds

6-fluoro-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 95929826
6-fluoro-N-piperidin-4-ylquinolin-4-amine
CID 68720863
6-fluoro-4-propan-2-ylquinoline
CID 83527062
6-fluoro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 68720572
N-[cyclopropyl(quinolin-4-yl)methyl]ethanamine
CID 105157242
5-cyclohexyl-4-(6-fluoroquinolin-4-yl)-3-oxopentanenitrile
CID 175207339
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
2-[ethyl(methyl)amino]-N-[piperidin-4-yl(pyrido[2,3-b]pyrazin-8-yl)methyl]acetamide
CID 129240566
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
CID 175080471
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 19771937
(R)-piperidin-4-yl(quinolin-4-yl)methanamine;hydrochloride
CID 171314768

Frequently Asked Questions

What is the IUPAC name of azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine?
The IUPAC name of azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine (CID 175363192) is azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine.
What is the SMILES notation for azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine?
The canonical SMILES for azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine is CCC(C)(CC)NC(c1ccnc2ccc(F)cc12)C1CCNCC1.N.
What is the InChIKey of azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine?
The InChIKey is CFEPITQCIUSFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3.H3N/c1-4-21(3,5-2)25-20(15-8-11-23-12-9-15)17-10-13-24-19-7-6-16(22)14-18(17)19;/h6-7,10,13-15,20,23,25H,4-5,8-9,11-12H2,1-3H3;1H3.
What are the key properties of azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine?
azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine has a molecular weight of 360.52 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-[(6-fluoroquinolin-4-yl)-piperidin-4-ylmethyl]-3-methylpentan-3-amine is sourced from PubChem (CID 175363192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).