4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine

C13H22N2O — CID 63086190

IUPAC4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine
SMILESCC(Cc1ccco1)NC1CCC(N)CC1
InChIInChI=1S/C13H22N2O/c1-10(9-13-3-2-8-16-13)15-12-6-4-11(14)5-7-12/h2-3,8,10-12,15H,4-7,9,14H2,1H3
InChIKeyDRWFSIIKTXMHEJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.07
Rot. Bonds4

About 4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine

4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine (PubChem CID 63086190) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine
PubChem CID63086190
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine
SMILESCC(Cc1ccco1)NC1CCC(N)CC1
InChIInChI=1S/C13H22N2O/c1-10(9-13-3-2-8-16-13)15-12-6-4-11(14)5-7-12/h2-3,8,10-12,15H,4-7,9,14H2,1H3
InChIKeyDRWFSIIKTXMHEJ-UHFFFAOYSA-N
XLogP2.07
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(furan-2-yl)propan-2-ylamino]cyclohexane-1-carboxamide
CID 55181509
N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65081351
N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472160
3-ethoxy-N-[1-(furan-2-yl)propan-2-yl]cyclobutan-1-amine
CID 112553035
N-(1-cyclopentylethyl)-1-(furan-2-yl)propan-2-amine
CID 62634085
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 79527667
4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741971
2-[[1-(furan-2-yl)propan-2-ylamino]methyl]cyclopentan-1-amine
CID 64851073
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
CID 65082213
4-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79724820

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine (CID 63086190) is 4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine is CC(Cc1ccco1)NC1CCC(N)CC1.
What is the InChIKey of 4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine?
The InChIKey is DRWFSIIKTXMHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(9-13-3-2-8-16-13)15-12-6-4-11(14)5-7-12/h2-3,8,10-12,15H,4-7,9,14H2,1H3.
What are the key properties of 4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine?
4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 63086190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).