N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

C16H26N2O — CID 106603634

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(C2CC2C)o1)CC1CCCN1
InChIInChI=1S/C16H26N2O/c1-3-18(10-13-5-4-8-17-13)11-14-6-7-16(19-14)15-9-12(15)2/h6-7,12-13,15,17H,3-5,8-11H2,1-2H3
InChIKeyLOSSUNAWBHLMSS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.98
Rot. Bonds6

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106603634) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106603634
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(C2CC2C)o1)CC1CCCN1
InChIInChI=1S/C16H26N2O/c1-3-18(10-13-5-4-8-17-13)11-14-6-7-16(19-14)15-9-12(15)2/h6-7,12-13,15,17H,3-5,8-11H2,1-2H3
InChIKeyLOSSUNAWBHLMSS-UHFFFAOYSA-N
XLogP2.98
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715678
methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 106614914
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine
CID 107171992
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290
4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine
CID 79116107
N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106603634) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(Cc1ccc(C2CC2C)o1)CC1CCCN1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is LOSSUNAWBHLMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18(10-13-5-4-8-17-13)11-14-6-7-16(19-14)15-9-12(15)2/h6-7,12-13,15,17H,3-5,8-11H2,1-2H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106603634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).