(1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine

C15H23NO — CID 124850379

IUPAC(1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine
SMILESCC1=CC[C@H](N[C@@H](C)c2cc(C)oc2C)CC1
InChIInChI=1S/C15H23NO/c1-10-5-7-14(8-6-10)16-12(3)15-9-11(2)17-13(15)4/h5,9,12,14,16H,6-8H2,1-4H3/t12-,14-/m0/s1
InChIKeyQLMUXMWVBPOYQT-JSGCOSHPSA-N
MW233.35 g/mol
LogP4.05
Rot. Bonds3

About (1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine

(1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine (PubChem CID 124850379) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine
PubChem CID124850379
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine
SMILESCC1=CC[C@H](N[C@@H](C)c2cc(C)oc2C)CC1
InChIInChI=1S/C15H23NO/c1-10-5-7-14(8-6-10)16-12(3)15-9-11(2)17-13(15)4/h5,9,12,14,16H,6-8H2,1-4H3/t12-,14-/m0/s1
InChIKeyQLMUXMWVBPOYQT-JSGCOSHPSA-N
XLogP4.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.05
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

N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine
CID 79741678
N-[1-(2,5-dimethylfuran-3-yl)ethyl]thian-3-amine
CID 62870946
1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79459068
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083318
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836949
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-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine
CID 104579144
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895601
(1R)-N,4-dimethylcyclohex-3-en-1-amine
CID 15748124
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321039
[cycloheptyl-(2,5-dimethylfuran-3-yl)methyl]hydrazine
CID 105330649

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine?
The IUPAC name of (1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine (CID 124850379) is (1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine.
What is the SMILES notation for (1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine?
The canonical SMILES for (1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine is CC1=CC[C@H](N[C@@H](C)c2cc(C)oc2C)CC1.
What is the InChIKey of (1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine?
The InChIKey is QLMUXMWVBPOYQT-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-5-7-14(8-6-10)16-12(3)15-9-11(2)17-13(15)4/h5,9,12,14,16H,6-8H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of (1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine?
(1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 124850379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).