N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

C15H26N2O — CID 55085461

IUPACN-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)CCNC2CCCCC2)o1
InChIInChI=1S/C15H26N2O/c1-13-8-9-15(18-13)12-17(2)11-10-16-14-6-4-3-5-7-14/h8-9,14,16H,3-7,10-12H2,1-2H3
InChIKeyVQFCNDZOTOEMIE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.94
Rot. Bonds6

About N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 55085461) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID55085461
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)CCNC2CCCCC2)o1
InChIInChI=1S/C15H26N2O/c1-13-8-9-15(18-13)12-17(2)11-10-16-14-6-4-3-5-7-14/h8-9,14,16H,3-7,10-12H2,1-2H3
InChIKeyVQFCNDZOTOEMIE-UHFFFAOYSA-N
XLogP2.94
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560208
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62573288
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62523033
N-(dicyclopropylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55089797
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
3-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60954282
N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79310631
N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine
CID 62559645
N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
CID 62559098
N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461
N-cyclopropyl-3-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 54871938

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (CID 55085461) is N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is Cc1ccc(CN(C)CCNC2CCCCC2)o1.
What is the InChIKey of N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is VQFCNDZOTOEMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13-8-9-15(18-13)12-17(2)11-10-16-14-6-4-3-5-7-14/h8-9,14,16H,3-7,10-12H2,1-2H3.
What are the key properties of N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55085461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).