N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine

C15H26N2O — CID 55074921

IUPACN-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine
SMILESCc1oc(CN(C)C2CC2)cc1CNC(C)(C)C
InChIInChI=1S/C15H26N2O/c1-11-12(9-16-15(2,3)4)8-14(18-11)10-17(5)13-6-7-13/h8,13,16H,6-7,9-10H2,1-5H3
InChIKeyIVIHYXBDTOOCDJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.07
Rot. Bonds5

About N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine

N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine (PubChem CID 55074921) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine
PubChem CID55074921
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine
SMILESCc1oc(CN(C)C2CC2)cc1CNC(C)(C)C
InChIInChI=1S/C15H26N2O/c1-11-12(9-16-15(2,3)4)8-14(18-11)10-17(5)13-6-7-13/h8,13,16H,6-7,9-10H2,1-5H3
InChIKeyIVIHYXBDTOOCDJ-UHFFFAOYSA-N
XLogP3.07
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine
CID 62419292
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438508
2-methyl-N-[[2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62417562
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
2-methyl-N-[[2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62435190
N-[[5-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62420058
2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 115987892
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine
CID 62417218
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcycloheptanamine
CID 55073900
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcyclohexanamine
CID 62424073

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine (CID 55074921) is N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine is Cc1oc(CN(C)C2CC2)cc1CNC(C)(C)C.
What is the InChIKey of N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine?
The InChIKey is IVIHYXBDTOOCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-12(9-16-15(2,3)4)8-14(18-11)10-17(5)13-6-7-13/h8,13,16H,6-7,9-10H2,1-5H3.
What are the key properties of N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine?
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine has a molecular weight of 250.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 55074921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).