N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

C14H25N3O — CID 62439241

IUPACN-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccoc1CN1CCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-12(2)15-10-13-4-9-18-14(13)11-17-7-5-16(3)6-8-17/h4,9,12,15H,5-8,10-11H2,1-3H3
InChIKeyOEZKQKDRDDYMNA-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.52
Rot. Bonds5

About N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62439241) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62439241
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccoc1CN1CCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-12(2)15-10-13-4-9-18-14(13)11-17-7-5-16(3)6-8-17/h4,9,12,15H,5-8,10-11H2,1-3H3
InChIKeyOEZKQKDRDDYMNA-UHFFFAOYSA-N
XLogP1.52
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1,3-dihydroisoindol-2-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62439140
N-[[3-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423440
N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62438395
N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62417291
[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62437744
N-[[3-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437907
N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437647
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62458420
N-[[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 102968022
N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63620979
N-[[2-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62463099

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (CID 62439241) is N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is CC(C)NCc1ccoc1CN1CCN(C)CC1.
What is the InChIKey of N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is OEZKQKDRDDYMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)15-10-13-4-9-18-14(13)11-17-7-5-16(3)6-8-17/h4,9,12,15H,5-8,10-11H2,1-3H3.
What are the key properties of N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62439241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).