N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine

C17H28N2O — CID 79715678

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(C2CC2C)o1)CC1CCNCC1
InChIInChI=1S/C17H28N2O/c1-3-19(11-14-6-8-18-9-7-14)12-15-4-5-17(20-15)16-10-13(16)2/h4-5,13-14,16,18H,3,6-12H2,1-2H3
InChIKeyNIUJOCUWIHJDFP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds6

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79715678) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79715678
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(C2CC2C)o1)CC1CCNCC1
InChIInChI=1S/C17H28N2O/c1-3-19(11-14-6-8-18-9-7-14)12-15-4-5-17(20-15)16-10-13(16)2/h4-5,13-14,16,18H,3,6-12H2,1-2H3
InChIKeyNIUJOCUWIHJDFP-UHFFFAOYSA-N
XLogP3.22
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603634
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine
CID 107171992
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine
CID 79116107
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716550
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715535
N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715370
2-(2-bromoethyl)-5-(2-methylcyclopropyl)furan
CID 64867925
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79982309

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 79715678) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1ccc(C2CC2C)o1)CC1CCNCC1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is NIUJOCUWIHJDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(11-14-6-8-18-9-7-14)12-15-4-5-17(20-15)16-10-13(16)2/h4-5,13-14,16,18H,3,6-12H2,1-2H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 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-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79715678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).