4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine

C15H20N2O — CID 80700876

IUPAC4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2coc3ccccc23)CC1
InChIInChI=1S/C15H20N2O/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-4,10,12-13,17H,5-9,16H2
InChIKeyKYFHNDQHSBTWKA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.79
Rot. Bonds3

About 4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine

4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 80700876) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
PubChem CID80700876
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2coc3ccccc23)CC1
InChIInChI=1S/C15H20N2O/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-4,10,12-13,17H,5-9,16H2
InChIKeyKYFHNDQHSBTWKA-UHFFFAOYSA-N
XLogP2.79
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 115150174
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066
N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine
CID 103917742
5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
CID 80700614
N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine
CID 117177526
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
CID 80700753
N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83009936

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine (CID 80700876) is 4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine is NC1CCC(NCc2coc3ccccc23)CC1.
What is the InChIKey of 4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is KYFHNDQHSBTWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-4,10,12-13,17H,5-9,16H2.
What are the key properties of 4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine?
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 80700876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).