4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine

C10H19FN2 — CID 130834768

IUPAC4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCC2(F)CC2)CC1
InChIInChI=1S/C10H19FN2/c11-10(5-6-10)7-13-9-3-1-8(12)2-4-9/h8-9,13H,1-7,12H2
InChIKeyJCXWPTBSEBPXHY-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.35
Rot. Bonds3

About 4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine

4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine (PubChem CID 130834768) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine
PubChem CID130834768
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCC2(F)CC2)CC1
InChIInChI=1S/C10H19FN2/c11-10(5-6-10)7-13-9-3-1-8(12)2-4-9/h8-9,13H,1-7,12H2
InChIKeyJCXWPTBSEBPXHY-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine (CID 130834768) is 4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine is NC1CCC(NCC2(F)CC2)CC1.
What is the InChIKey of 4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is JCXWPTBSEBPXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c11-10(5-6-10)7-13-9-3-1-8(12)2-4-9/h8-9,13H,1-7,12H2.
What are the key properties of 4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine?
4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 186.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 130834768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).