N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine

C14H21NO — CID 104579144

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine
SMILESCc1cc(C(C)NC2C=CCCC2)c(C)o1
InChIInChI=1S/C14H21NO/c1-10-9-14(12(3)16-10)11(2)15-13-7-5-4-6-8-13/h5,7,9,11,13,15H,4,6,8H2,1-3H3
InChIKeyIMJGUKLENXADJB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.66
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine (PubChem CID 104579144) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine
PubChem CID104579144
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine
SMILESCc1cc(C(C)NC2C=CCCC2)c(C)o1
InChIInChI=1S/C14H21NO/c1-10-9-14(12(3)16-10)11(2)15-13-7-5-4-6-8-13/h5,7,9,11,13,15H,4,6,8H2,1-3H3
InChIKeyIMJGUKLENXADJB-UHFFFAOYSA-N
XLogP3.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79459068
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine
CID 104577646
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083318
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836949
N-[1-(2,5-dimethylfuran-3-yl)ethyl]thian-3-amine
CID 62870946
N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine
CID 79741678
(1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine
CID 124850379
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
N-[1-(2,5-dimethylfuran-3-yl)ethyl]adamantan-2-amine
CID 43720446
N-(1-cyclobutylethyl)cyclohex-2-en-1-amine
CID 103903529
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321039

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine (CID 104579144) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine is Cc1cc(C(C)NC2C=CCCC2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is IMJGUKLENXADJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-9-14(12(3)16-10)11(2)15-13-7-5-4-6-8-13/h5,7,9,11,13,15H,4,6,8H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 104579144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).