N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine

C16H28N2O2 — CID 82753900

IUPACN,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine
SMILESCc1cc(CN(C)C2CCOC2C)oc1CNC(C)C
InChIInChI=1S/C16H28N2O2/c1-11(2)17-9-16-12(3)8-14(20-16)10-18(5)15-6-7-19-13(15)4/h8,11,13,15,17H,6-7,9-10H2,1-5H3
InChIKeyMFGNEZLBUNMDJD-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.70
Rot. Bonds6

About N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine

N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine (PubChem CID 82753900) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine
PubChem CID82753900
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine
SMILESCc1cc(CN(C)C2CCOC2C)oc1CNC(C)C
InChIInChI=1S/C16H28N2O2/c1-11(2)17-9-16-12(3)8-14(20-16)10-18(5)15-6-7-19-13(15)4/h8,11,13,15,17H,6-7,9-10H2,1-5H3
InChIKeyMFGNEZLBUNMDJD-UHFFFAOYSA-N
XLogP2.70
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N,2-dimethyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]oxolan-3-amine
CID 82754072
N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431400
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62439197
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexan-1-amine
CID 62463291
N-methyl-N-[[4-methyl-5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62418553
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine
CID 62424078
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82754162
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62462848
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62445758
N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 82754773
N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82739350

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine?
The IUPAC name of N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine (CID 82753900) is N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine.
What is the SMILES notation for N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine?
The canonical SMILES for N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine is Cc1cc(CN(C)C2CCOC2C)oc1CNC(C)C.
What is the InChIKey of N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine?
The InChIKey is MFGNEZLBUNMDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)17-9-16-12(3)8-14(20-16)10-18(5)15-6-7-19-13(15)4/h8,11,13,15,17H,6-7,9-10H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine?
N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine has a molecular weight of 280.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 82753900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).