N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine

C17H32N2O — CID 62427206

IUPACN,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
SMILESCCCNCc1cc(CN(C)C(C)C(C)(C)C)c(C)o1
InChIInChI=1S/C17H32N2O/c1-8-9-18-11-16-10-15(13(2)20-16)12-19(7)14(3)17(4,5)6/h10,14,18H,8-9,11-12H2,1-7H3
InChIKeyCLLSNZVGEZSIJL-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.95
Rot. Bonds7

About N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine

N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine (PubChem CID 62427206) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
PubChem CID62427206
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
SMILESCCCNCc1cc(CN(C)C(C)C(C)(C)C)c(C)o1
InChIInChI=1S/C17H32N2O/c1-8-9-18-11-16-10-15(13(2)20-16)12-19(7)14(3)17(4,5)6/h10,14,18H,8-9,11-12H2,1-7H3
InChIKeyCLLSNZVGEZSIJL-UHFFFAOYSA-N
XLogP3.95
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 55075046
N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]butan-2-amine
CID 80728121
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62437385
N-[[4-[[bis(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62438260
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092
2-methyl-N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62425019
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 81068367
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
CID 107556145
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62463726
N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62429791
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine
CID 82754169

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine (CID 62427206) is N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine is CCCNCc1cc(CN(C)C(C)C(C)(C)C)c(C)o1.
What is the InChIKey of N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine?
The InChIKey is CLLSNZVGEZSIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-8-9-18-11-16-10-15(13(2)20-16)12-19(7)14(3)17(4,5)6/h10,14,18H,8-9,11-12H2,1-7H3.
What are the key properties of N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine?
N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 62427206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).