2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine

C12H20N2O — CID 61422604

IUPAC2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCN(Cc1ccoc1)C1CCCCC1N
InChIInChI=1S/C12H20N2O/c1-14(8-10-6-7-15-9-10)12-5-3-2-4-11(12)13/h6-7,9,11-12H,2-5,8,13H2,1H3
InChIKeyXGQDTSWDTIYDQR-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.98
Rot. Bonds3

About 2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine

2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine (PubChem CID 61422604) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
PubChem CID61422604
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCN(Cc1ccoc1)C1CCCCC1N
InChIInChI=1S/C12H20N2O/c1-14(8-10-6-7-15-9-10)12-5-3-2-4-11(12)13/h6-7,9,11-12H,2-5,8,13H2,1H3
InChIKeyXGQDTSWDTIYDQR-UHFFFAOYSA-N
XLogP1.98
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
CID 61421775
2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile
CID 61422186
4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 62807618
2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine
CID 61421776
1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 61421823
4-[furan-3-ylmethyl(methyl)amino]pyrrolidin-3-ol
CID 63702901
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760
2-(furan-3-ylmethyl)cyclopentan-1-amine
CID 83173123
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 115118047
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
2-[furan-3-ylmethyl(methyl)amino]cyclopentan-1-one
CID 62035566

Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine (CID 61422604) is 2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine is CN(Cc1ccoc1)C1CCCCC1N.
What is the InChIKey of 2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is XGQDTSWDTIYDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(8-10-6-7-15-9-10)12-5-3-2-4-11(12)13/h6-7,9,11-12H,2-5,8,13H2,1H3.
What are the key properties of 2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine?
2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 61422604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).