N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine

C14H18N4O — CID 62245161

IUPACN-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine
SMILESNNc1ccc(CN(Cc2ccco2)C2CC2)cn1
InChIInChI=1S/C14H18N4O/c15-17-14-6-3-11(8-16-14)9-18(12-4-5-12)10-13-2-1-7-19-13/h1-3,6-8,12H,4-5,9-10,15H2,(H,16,17)
InChIKeyPXJNSXDXWDDMCK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.12
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine

N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine (PubChem CID 62245161) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine
PubChem CID62245161
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine
SMILESNNc1ccc(CN(Cc2ccco2)C2CC2)cn1
InChIInChI=1S/C14H18N4O/c15-17-14-6-3-11(8-16-14)9-18(12-4-5-12)10-13-2-1-7-19-13/h1-3,6-8,12H,4-5,9-10,15H2,(H,16,17)
InChIKeyPXJNSXDXWDDMCK-UHFFFAOYSA-N
XLogP2.12
TPSA67.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886159
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879316
4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 23821498
4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 23794326
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80658148
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methyloxolan-3-amine
CID 82743836
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63578588
N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 55053333
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 107453632
5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine
CID 62183710

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine (CID 62245161) is N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine is NNc1ccc(CN(Cc2ccco2)C2CC2)cn1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine?
The InChIKey is PXJNSXDXWDDMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-17-14-6-3-11(8-16-14)9-18(12-4-5-12)10-13-2-1-7-19-13/h1-3,6-8,12H,4-5,9-10,15H2,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine?
N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine has a molecular weight of 258.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 62245161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).