1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

C18H32N2O2 — CID 119036267

IUPAC1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCC(C)COCC(NC1CCC(N(C)C)CC1)c1ccco1
InChIInChI=1S/C18H32N2O2/c1-14(2)12-21-13-17(18-6-5-11-22-18)19-15-7-9-16(10-8-15)20(3)4/h5-6,11,14-17,19H,7-10,12-13H2,1-4H3
InChIKeyLLHWNPGQYWUNNJ-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.46
Rot. Bonds8

About 1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 119036267) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID119036267
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCC(C)COCC(NC1CCC(N(C)C)CC1)c1ccco1
InChIInChI=1S/C18H32N2O2/c1-14(2)12-21-13-17(18-6-5-11-22-18)19-15-7-9-16(10-8-15)20(3)4/h5-6,11,14-17,19H,7-10,12-13H2,1-4H3
InChIKeyLLHWNPGQYWUNNJ-UHFFFAOYSA-N
XLogP3.46
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
CID 119110601
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438580
N-[(1R)-1-(furan-2-yl)-2-phenylethyl]cyclopropanamine
CID 125485850
1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 119106924
cis-(1S,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429824
trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429823
N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide
CID 95293966
1-[2-[1-(furan-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 62561360
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyrazine-2-carboxamide
CID 51105520
1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 119106925
2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol
CID 75509295
4-N,4-N-dimethyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 66569320

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 119036267) is 1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is CC(C)COCC(NC1CCC(N(C)C)CC1)c1ccco1.
What is the InChIKey of 1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is LLHWNPGQYWUNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-14(2)12-21-13-17(18-6-5-11-22-18)19-15-7-9-16(10-8-15)20(3)4/h5-6,11,14-17,19H,7-10,12-13H2,1-4H3.
What are the key properties of 1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 308.47 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 119036267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).