1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine

C20H28FN3 — CID 175080471

IUPAC1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
SMILESCC(C)(C)NNCC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H28FN3/c1-20(2,3)24-23-13-14-4-6-15(7-5-14)17-10-11-22-19-9-8-16(21)12-18(17)19/h8-12,14-15,23-24H,4-7,13H2,1-3H3
InChIKeyLWKGNZINXSBPDZ-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.54
Rot. Bonds4

About 1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine

1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine (PubChem CID 175080471) has the molecular formula C20H28FN3 and a molecular weight of 329.46 g/mol. Its IUPAC name is 1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine.

Molecular Properties

Compound Name1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
PubChem CID175080471
Molecular FormulaC20H28FN3
Molecular Weight329.46 g/mol
Exact Mass329.23
IUPAC Name1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
SMILESCC(C)(C)NNCC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H28FN3/c1-20(2,3)24-23-13-14-4-6-15(7-5-14)17-10-11-22-19-9-8-16(21)12-18(17)19/h8-12,14-15,23-24H,4-7,13H2,1-3H3
InChIKeyLWKGNZINXSBPDZ-UHFFFAOYSA-N
XLogP4.54
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline
CID 175384912
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
CID 134305867
tert-butyl-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethylideneamino]-oxidosulfanium
CID 174048964
6-fluoro-4-[4-(2-isocyanatoethyl)cyclohexyl]quinoline
CID 134284395
6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine
CID 168891031
N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine
CID 121318760
3-[5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylprop-1-en-2-amine
CID 155016751

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine?
The IUPAC name of 1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine (CID 175080471) is 1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine.
What is the SMILES notation for 1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine?
The canonical SMILES for 1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine is CC(C)(C)NNCC1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine?
The InChIKey is LWKGNZINXSBPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3/c1-20(2,3)24-23-13-14-4-6-15(7-5-14)17-10-11-22-19-9-8-16(21)12-18(17)19/h8-12,14-15,23-24H,4-7,13H2,1-3H3.
What are the key properties of 1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine?
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine has a molecular weight of 329.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine is sourced from PubChem (CID 175080471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).