N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine

C17H30N2O — CID 62419292

IUPACN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine
SMILESCc1oc(CNC(C)(C)C)cc1CN(C)C1CCCC1
InChIInChI=1S/C17H30N2O/c1-13-14(12-19(5)15-8-6-7-9-15)10-16(20-13)11-18-17(2,3)4/h10,15,18H,6-9,11-12H2,1-5H3
InChIKeyJRYDJJOZZCKOAI-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.85
Rot. Bonds5

About N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine

N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine (PubChem CID 62419292) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine
PubChem CID62419292
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine
SMILESCc1oc(CNC(C)(C)C)cc1CN(C)C1CCCC1
InChIInChI=1S/C17H30N2O/c1-13-14(12-19(5)15-8-6-7-9-15)10-16(20-13)11-18-17(2,3)4/h10,15,18H,6-9,11-12H2,1-5H3
InChIKeyJRYDJJOZZCKOAI-UHFFFAOYSA-N
XLogP3.85
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62431880
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425372
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine
CID 55074921
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62431881
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62434217
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 107402017
N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62432854
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]oxan-4-amine
CID 62431851
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine?
The IUPAC name of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine (CID 62419292) is N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine is Cc1oc(CNC(C)(C)C)cc1CN(C)C1CCCC1.
What is the InChIKey of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine?
The InChIKey is JRYDJJOZZCKOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13-14(12-19(5)15-8-6-7-9-15)10-16(20-13)11-18-17(2,3)4/h10,15,18H,6-9,11-12H2,1-5H3.
What are the key properties of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine?
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine has a molecular weight of 278.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine is sourced from PubChem (CID 62419292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).