N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine

C16H30N2O — CID 62462201

IUPACN,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCC(C)CCN(C)Cc1ccc(CNCC(C)C)o1
InChIInChI=1S/C16H30N2O/c1-13(2)8-9-18(5)12-16-7-6-15(19-16)11-17-10-14(3)4/h6-7,13-14,17H,8-12H2,1-5H3
InChIKeyQONRUCIUSFLGJQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.50
Rot. Bonds9

About N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine

N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine (PubChem CID 62462201) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
PubChem CID62462201
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCC(C)CCN(C)Cc1ccc(CNCC(C)C)o1
InChIInChI=1S/C16H30N2O/c1-13(2)8-9-18(5)12-16-7-6-15(19-16)11-17-10-14(3)4/h6-7,13-14,17H,8-12H2,1-5H3
InChIKeyQONRUCIUSFLGJQ-UHFFFAOYSA-N
XLogP3.50
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79858301
N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62426314
N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine
CID 102997637
2-methyl-N-[[5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461209
2-methyl-N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79311221
N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431088
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
N-(2-methoxyethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62434875
N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62422313
N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 64520094
N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide
CID 83025121

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The IUPAC name of N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine (CID 62462201) is N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine is CC(C)CCN(C)Cc1ccc(CNCC(C)C)o1.
What is the InChIKey of N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The InChIKey is QONRUCIUSFLGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)8-9-18(5)12-16-7-6-15(19-16)11-17-10-14(3)4/h6-7,13-14,17H,8-12H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine?
N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 62462201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).