N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine

C17H29N3O — CID 79304519

IUPACN-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCC1CC1c1ccc(C(CN)N(C)CC2CCCN2C)o1
InChIInChI=1S/C17H29N3O/c1-12-9-14(12)16-6-7-17(21-16)15(10-18)20(3)11-13-5-4-8-19(13)2/h6-7,12-15H,4-5,8-11,18H2,1-3H3
InChIKeyWAYQWLODRBWMKW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine

N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 79304519) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
PubChem CID79304519
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCC1CC1c1ccc(C(CN)N(C)CC2CCCN2C)o1
InChIInChI=1S/C17H29N3O/c1-12-9-14(12)16-6-7-17(21-16)15(10-18)20(3)11-13-5-4-8-19(13)2/h6-7,12-15H,4-5,8-11,18H2,1-3H3
InChIKeyWAYQWLODRBWMKW-UHFFFAOYSA-N
XLogP2.43
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylfuran-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303093
1-(4-ethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303979
1-(3,5-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303428
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526188
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82735293
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 83088852
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303102
1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303043
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 62002247
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303265
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 115990041
1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303833

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (CID 79304519) is N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is CC1CC1c1ccc(C(CN)N(C)CC2CCCN2C)o1.
What is the InChIKey of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is WAYQWLODRBWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12-9-14(12)16-6-7-17(21-16)15(10-18)20(3)11-13-5-4-8-19(13)2/h6-7,12-15H,4-5,8-11,18H2,1-3H3.
What are the key properties of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79304519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).