cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine

C16H20FN3 — CID 166288065

IUPACcis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
SMILESNC[C@@]1(F)CC[C@@H](NCc2cccc3cccnc23)C1
InChIInChI=1S/C16H20FN3/c17-16(11-18)7-6-14(9-16)20-10-13-4-1-3-12-5-2-8-19-15(12)13/h1-5,8,14,20H,6-7,9-11,18H2/t14-,16-/m1/s1
InChIKeyADCLJIDOXQCKGJ-GDBMZVCRSA-N
MW273.35 g/mol
LogP2.54
Rot. Bonds4

About cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine

cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine (PubChem CID 166288065) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
PubChem CID166288065
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Namecis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
SMILESNC[C@@]1(F)CC[C@@H](NCc2cccc3cccnc23)C1
InChIInChI=1S/C16H20FN3/c17-16(11-18)7-6-14(9-16)20-10-13-4-1-3-12-5-2-8-19-15(12)13/h1-5,8,14,20H,6-7,9-11,18H2/t14-,16-/m1/s1
InChIKeyADCLJIDOXQCKGJ-GDBMZVCRSA-N
XLogP2.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 81428857
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
(5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 97234841
3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
N-[(1-cyclopropylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine
CID 103838629
3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 103701386
2-methyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 115337151
1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine
CID 81333275
2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
CID 81428245
2,2,5,5-tetramethyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 81333756
N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728504

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine (CID 166288065) is cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine is NC[C@@]1(F)CC[C@@H](NCc2cccc3cccnc23)C1.
What is the InChIKey of cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
The InChIKey is ADCLJIDOXQCKGJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H20FN3/c17-16(11-18)7-6-14(9-16)20-10-13-4-1-3-12-5-2-8-19-15(12)13/h1-5,8,14,20H,6-7,9-11,18H2/t14-,16-/m1/s1.
What are the key properties of cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 166288065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).