N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine

C17H31N3O — CID 81464162

IUPACN,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine
SMILESCc1oc(CN2CC(C)C(N(C)C)C2)cc1CNC(C)C
InChIInChI=1S/C17H31N3O/c1-12(2)18-8-15-7-16(21-14(15)4)10-20-9-13(3)17(11-20)19(5)6/h7,12-13,17-18H,8-11H2,1-6H3
InChIKeyHVGOKZPFMQNGOY-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.47
Rot. Bonds6

About N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine (PubChem CID 81464162) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine
PubChem CID81464162
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine
SMILESCc1oc(CN2CC(C)C(N(C)C)C2)cc1CNC(C)C
InChIInChI=1S/C17H31N3O/c1-12(2)18-8-15-7-16(21-14(15)4)10-20-9-13(3)17(11-20)19(5)6/h7,12-13,17-18H,8-11H2,1-6H3
InChIKeyHVGOKZPFMQNGOY-UHFFFAOYSA-N
XLogP2.47
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540088
N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine
CID 81465367
N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine
CID 81469166
1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 79183372
N-[[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62418259
N-[[5-[(3-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62432690
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexan-1-amine
CID 62463291
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
N-[[5-[(2,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62431577
N-[[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62435989
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 115562245

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine (CID 81464162) is N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine is Cc1oc(CN2CC(C)C(N(C)C)C2)cc1CNC(C)C.
What is the InChIKey of N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine?
The InChIKey is HVGOKZPFMQNGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-12(2)18-8-15-7-16(21-14(15)4)10-20-9-13(3)17(11-20)19(5)6/h7,12-13,17-18H,8-11H2,1-6H3.
What are the key properties of N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine has a molecular weight of 293.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81464162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).