1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine

C17H30N2O — CID 62702659

IUPAC1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine
SMILESCC(C)C1CCC(NCC(c2ccco2)N(C)C)CC1
InChIInChI=1S/C17H30N2O/c1-13(2)14-7-9-15(10-8-14)18-12-16(19(3)4)17-6-5-11-20-17/h5-6,11,13-16,18H,7-10,12H2,1-4H3
InChIKeyGBAUBEWXCKIULG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.69
Rot. Bonds6

About 1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine

1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine (PubChem CID 62702659) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine
PubChem CID62702659
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine
SMILESCC(C)C1CCC(NCC(c2ccco2)N(C)C)CC1
InChIInChI=1S/C17H30N2O/c1-13(2)14-7-9-15(10-8-14)18-12-16(19(3)4)17-6-5-11-20-17/h5-6,11,13-16,18H,7-10,12H2,1-4H3
InChIKeyGBAUBEWXCKIULG-UHFFFAOYSA-N
XLogP3.69
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 106658079
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine
CID 102671336
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
N'-(3,4-dihydro-2H-chromen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202404
N'-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 81251400
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43223346
N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62420056
1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 62655967
N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 61323901

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine (CID 62702659) is 1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine is CC(C)C1CCC(NCC(c2ccco2)N(C)C)CC1.
What is the InChIKey of 1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine?
The InChIKey is GBAUBEWXCKIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)14-7-9-15(10-8-14)18-12-16(19(3)4)17-6-5-11-20-17/h5-6,11,13-16,18H,7-10,12H2,1-4H3.
What are the key properties of 1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine?
1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 62702659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).