1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine

C13H22N2O — CID 64679316

IUPAC1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine
SMILESNC1(CCNCc2ccco2)CCCCC1
InChIInChI=1S/C13H22N2O/c14-13(6-2-1-3-7-13)8-9-15-11-12-5-4-10-16-12/h4-5,10,15H,1-3,6-9,11,14H2
InChIKeyYPEWCMDMRIWBFW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.42
Rot. Bonds5

About 1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine

1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine (PubChem CID 64679316) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine
PubChem CID64679316
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine
SMILESNC1(CCNCc2ccco2)CCCCC1
InChIInChI=1S/C13H22N2O/c14-13(6-2-1-3-7-13)8-9-15-11-12-5-4-10-16-12/h4-5,10,15H,1-3,6-9,11,14H2
InChIKeyYPEWCMDMRIWBFW-UHFFFAOYSA-N
XLogP2.42
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
1-(azepan-1-yl)-3-(furan-2-ylmethylamino)propan-1-one
CID 109018638
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63218433
1-(furan-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115696278
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one
CID 116591276
1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 114990379
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63163129

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine (CID 64679316) is 1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine is NC1(CCNCc2ccco2)CCCCC1.
What is the InChIKey of 1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine?
The InChIKey is YPEWCMDMRIWBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-13(6-2-1-3-7-13)8-9-15-11-12-5-4-10-16-12/h4-5,10,15H,1-3,6-9,11,14H2.
What are the key properties of 1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine?
1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64679316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).