N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine

C17H30N2O — CID 63656726

IUPACN-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)CC2CCCC2)cc1C
InChIInChI=1S/C17H30N2O/c1-4-9-18-11-17-14(2)10-16(20-17)13-19(3)12-15-7-5-6-8-15/h10,15,18H,4-9,11-13H2,1-3H3
InChIKeyTVERKKORGPYUKR-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.71
Rot. Bonds8

About N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine

N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 63656726) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID63656726
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)CC2CCCC2)cc1C
InChIInChI=1S/C17H30N2O/c1-4-9-18-11-17-14(2)10-16(20-17)13-19(3)12-15-7-5-6-8-15/h10,15,18H,4-9,11-13H2,1-3H3
InChIKeyTVERKKORGPYUKR-UHFFFAOYSA-N
XLogP3.71
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine (CID 63656726) is N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1oc(CN(C)CC2CCCC2)cc1C.
What is the InChIKey of N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is TVERKKORGPYUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-9-18-11-17-14(2)10-16(20-17)13-19(3)12-15-7-5-6-8-15/h10,15,18H,4-9,11-13H2,1-3H3.
What are the key properties of N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63656726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).