N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine

C14H24N2O — CID 62417218

IUPACN-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine
SMILESCN(Cc1occc1CNC(C)(C)C)C1CC1
InChIInChI=1S/C14H24N2O/c1-14(2,3)15-9-11-7-8-17-13(11)10-16(4)12-5-6-12/h7-8,12,15H,5-6,9-10H2,1-4H3
InChIKeyWYECJUGQLINATE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.76
Rot. Bonds5

About N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine

N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine (PubChem CID 62417218) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine
PubChem CID62417218
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine
SMILESCN(Cc1occc1CNC(C)(C)C)C1CC1
InChIInChI=1S/C14H24N2O/c1-14(2,3)15-9-11-7-8-17-13(11)10-16(4)12-5-6-12/h7-8,12,15H,5-6,9-10H2,1-4H3
InChIKeyWYECJUGQLINATE-UHFFFAOYSA-N
XLogP2.76
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine (CID 62417218) is N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine is CN(Cc1occc1CNC(C)(C)C)C1CC1.
What is the InChIKey of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine?
The InChIKey is WYECJUGQLINATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)15-9-11-7-8-17-13(11)10-16(4)12-5-6-12/h7-8,12,15H,5-6,9-10H2,1-4H3.
What are the key properties of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine?
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine has a molecular weight of 236.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 62417218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).