1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol

C12H25FN2O — CID 70905293

IUPAC1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol
SMILESNCCC1CCC(NC(O)CCCF)CC1
InChIInChI=1S/C12H25FN2O/c13-8-1-2-12(16)15-11-5-3-10(4-6-11)7-9-14/h10-12,15-16H,1-9,14H2
InChIKeyMNKGOEBYHCSVRH-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.55
Rot. Bonds7

About 1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol

1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol (PubChem CID 70905293) has the molecular formula C12H25FN2O and a molecular weight of 232.34 g/mol. Its IUPAC name is 1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol.

Molecular Properties

Compound Name1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol
PubChem CID70905293
Molecular FormulaC12H25FN2O
Molecular Weight232.34 g/mol
Exact Mass232.20
IUPAC Name1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol
SMILESNCCC1CCC(NC(O)CCCF)CC1
InChIInChI=1S/C12H25FN2O/c13-8-1-2-12(16)15-11-5-3-10(4-6-11)7-9-14/h10-12,15-16H,1-9,14H2
InChIKeyMNKGOEBYHCSVRH-UHFFFAOYSA-N
XLogP1.55
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(Aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol
CID 88571724
(2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol
CID 140515379
(2S)-2-[[(S)-cyclopropyl-(3-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol
CID 140515383
4-Methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 64753867
3-[[4-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64754234
2-[[4-(Trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 64754854
2-Methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 65037073
3-Methyl-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 66090131
3-Cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-1-ol
CID 75506676
(2S)-3-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 79253588
3-Methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 79254243
3-[[[4-(Trifluoromethyl)cyclohexyl]amino]methyl]pentan-1-ol
CID 80299588

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol?
The IUPAC name of 1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol (CID 70905293) is 1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol.
What is the SMILES notation for 1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol?
The canonical SMILES for 1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol is NCCC1CCC(NC(O)CCCF)CC1.
What is the InChIKey of 1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol?
The InChIKey is MNKGOEBYHCSVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O/c13-8-1-2-12(16)15-11-5-3-10(4-6-11)7-9-14/h10-12,15-16H,1-9,14H2.
What are the key properties of 1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol?
1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol has a molecular weight of 232.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol is sourced from PubChem (CID 70905293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).