1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine

C13H22N2O — CID 115710253

IUPAC1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine
SMILESCC(NCC(C1CC1)N(C)C)c1ccoc1
InChIInChI=1S/C13H22N2O/c1-10(12-6-7-16-9-12)14-8-13(15(2)3)11-4-5-11/h6-7,9-11,13-14H,4-5,8H2,1-3H3
InChIKeyMNIHPVBDCNNXNA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.27
Rot. Bonds6

About 1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine

1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 115710253) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine
PubChem CID115710253
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine
SMILESCC(NCC(C1CC1)N(C)C)c1ccoc1
InChIInChI=1S/C13H22N2O/c1-10(12-6-7-16-9-12)14-8-13(15(2)3)11-4-5-11/h6-7,9-11,13-14H,4-5,8H2,1-3H3
InChIKeyMNIHPVBDCNNXNA-UHFFFAOYSA-N
XLogP2.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine
CID 115716023
1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol
CID 115719585
1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 115712271
N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 115722148
N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
CID 104579893
1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine
CID 115893822
N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 113260923
N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 115713244
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780651
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
(1R)-2-cyclopropyl-1-(furan-3-yl)ethanamine
CID 55293675
2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115663663

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine (CID 115710253) is 1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine is CC(NCC(C1CC1)N(C)C)c1ccoc1.
What is the InChIKey of 1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is MNIHPVBDCNNXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(12-6-7-16-9-12)14-8-13(15(2)3)11-4-5-11/h6-7,9-11,13-14H,4-5,8H2,1-3H3.
What are the key properties of 1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine?
1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 115710253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).