N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine

C16H29N3O — CID 62418971

IUPACN-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN2CCN(CC)CC2)cc1C
InChIInChI=1S/C16H29N3O/c1-4-6-17-12-16-14(3)11-15(20-16)13-19-9-7-18(5-2)8-10-19/h11,17H,4-10,12-13H2,1-3H3
InChIKeyJOLATIRKWXHQNT-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.23
Rot. Bonds7

About N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine

N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 62418971) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID62418971
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN2CCN(CC)CC2)cc1C
InChIInChI=1S/C16H29N3O/c1-4-6-17-12-16-14(3)11-15(20-16)13-19-9-7-18(5-2)8-10-19/h11,17H,4-10,12-13H2,1-3H3
InChIKeyJOLATIRKWXHQNT-UHFFFAOYSA-N
XLogP2.23
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 55072792
N-[[5-[(4-bromopyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62443302
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62439093
N-[[5-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 82699299
N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 114597009
1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62438729
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62420927
N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62426395
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62440418
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63159756
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62417631
N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62451338

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine (CID 62418971) is N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1oc(CN2CCN(CC)CC2)cc1C.
What is the InChIKey of N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is JOLATIRKWXHQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-6-17-12-16-14(3)11-15(20-16)13-19-9-7-18(5-2)8-10-19/h11,17H,4-10,12-13H2,1-3H3.
What are the key properties of N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62418971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).