N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine

C12H19NO — CID 43121203

IUPACN-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(C)NCC2CC2)c(C)o1
InChIInChI=1S/C12H19NO/c1-8-6-12(10(3)14-8)9(2)13-7-11-4-5-11/h6,9,11,13H,4-5,7H2,1-3H3
InChIKeyXAYWWWBMHCYWCH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.96
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine

N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine (PubChem CID 43121203) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
PubChem CID43121203
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(C)NCC2CC2)c(C)o1
InChIInChI=1S/C12H19NO/c1-8-6-12(10(3)14-8)9(2)13-7-11-4-5-11/h6,9,11,13H,4-5,7H2,1-3H3
InChIKeyXAYWWWBMHCYWCH-UHFFFAOYSA-N
XLogP2.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
1-(2,5-dimethylfuran-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 54915593
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083318
1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 95142311
1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 56820991
1-(2,5-dimethylfuran-3-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981125
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
CID 64913851
1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113429018
N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 63451778
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270073
ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate
CID 60812257
1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine
CID 82710440

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine (CID 43121203) is N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine is Cc1cc(C(C)NCC2CC2)c(C)o1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The InChIKey is XAYWWWBMHCYWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-6-12(10(3)14-8)9(2)13-7-11-4-5-11/h6,9,11,13H,4-5,7H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 43121203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).