1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

C15H21N3O2 — CID 114937012

IUPAC1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)Cc2ccc(C)o2)cn1
InChIInChI=1S/C15H21N3O2/c1-11-4-6-13(20-11)10-18(2)14(8-16)12-5-7-15(19-3)17-9-12/h4-7,9,14H,8,10,16H2,1-3H3
InChIKeyZBRKVFATNOHFJU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.12
Rot. Bonds6

About 1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 114937012) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID114937012
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)Cc2ccc(C)o2)cn1
InChIInChI=1S/C15H21N3O2/c1-11-4-6-13(20-11)10-18(2)14(8-16)12-5-7-15(19-3)17-9-12/h4-7,9,14H,8,10,16H2,1-3H3
InChIKeyZBRKVFATNOHFJU-UHFFFAOYSA-N
XLogP2.12
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114937039
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 81146223
N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
CID 114937122
1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526191
N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937000
1-(6-methoxy-3-pyridinyl)-N,N-dimethylpropan-1-amine
CID 20622434
1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114937259
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526188
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 66142234
N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937078
4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline
CID 61262031
1-(2-cyclopropylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 79970674

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (CID 114937012) is 1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is COc1ccc(C(CN)N(C)Cc2ccc(C)o2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is ZBRKVFATNOHFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-4-6-13(20-11)10-18(2)14(8-16)12-5-7-15(19-3)17-9-12/h4-7,9,14H,8,10,16H2,1-3H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 275.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 114937012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).