4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine

C11H17IN2O — CID 62318504

IUPAC4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccc(I)o2)CC1
InChIInChI=1S/C11H17IN2O/c12-11-6-5-10(15-11)7-14-9-3-1-8(13)2-4-9/h5-6,8-9,14H,1-4,7,13H2
InChIKeyNTDCJOWSXWZSIU-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.24
Rot. Bonds3

About 4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine

4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 62318504) has the molecular formula C11H17IN2O and a molecular weight of 320.17 g/mol. Its IUPAC name is 4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine
PubChem CID62318504
Molecular FormulaC11H17IN2O
Molecular Weight320.17 g/mol
Exact Mass320.04
IUPAC Name4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccc(I)o2)CC1
InChIInChI=1S/C11H17IN2O/c12-11-6-5-10(15-11)7-14-9-3-1-8(13)2-4-9/h5-6,8-9,14H,1-4,7,13H2
InChIKeyNTDCJOWSXWZSIU-UHFFFAOYSA-N
XLogP2.24
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779441
N-[(5-iodofuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43791483
4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
CID 106415743
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine
CID 106886992
1-[4-[(5-iodofuran-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43791424
N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624861
1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine
CID 43784616
tert-butyl 3-[(5-iodofuran-2-yl)methylamino]azetidine-1-carboxylate
CID 107241835
N-[[5-(oxan-4-ylsulfanylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 113372589
N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 115564773
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine (CID 62318504) is 4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine is NC1CCC(NCc2ccc(I)o2)CC1.
What is the InChIKey of 4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is NTDCJOWSXWZSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O/c12-11-6-5-10(15-11)7-14-9-3-1-8(13)2-4-9/h5-6,8-9,14H,1-4,7,13H2.
What are the key properties of 4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine?
4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 320.17 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62318504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).