N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine

C16H23N3O — CID 43767058

IUPACN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
SMILESCn1ccnc1C(NC1CCCCCC1)c1ccco1
InChIInChI=1S/C16H23N3O/c1-19-11-10-17-16(19)15(14-9-6-12-20-14)18-13-7-4-2-3-5-8-13/h6,9-13,15,18H,2-5,7-8H2,1H3
InChIKeyDHBFXKLNZCZUDK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.41
Rot. Bonds4

About N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine (PubChem CID 43767058) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
PubChem CID43767058
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
SMILESCn1ccnc1C(NC1CCCCCC1)c1ccco1
InChIInChI=1S/C16H23N3O/c1-19-11-10-17-16(19)15(14-9-6-12-20-14)18-13-7-4-2-3-5-8-13/h6,9-13,15,18H,2-5,7-8H2,1H3
InChIKeyDHBFXKLNZCZUDK-UHFFFAOYSA-N
XLogP3.41
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol
CID 43761692
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine
CID 61211228
3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 64920941
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
[1-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115454330
4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43762276
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
CID 82942538

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine?
The IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine (CID 43767058) is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine is Cn1ccnc1C(NC1CCCCCC1)c1ccco1.
What is the InChIKey of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine?
The InChIKey is DHBFXKLNZCZUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-11-10-17-16(19)15(14-9-6-12-20-14)18-13-7-4-2-3-5-8-13/h6,9-13,15,18H,2-5,7-8H2,1H3.
What are the key properties of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine?
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine has a molecular weight of 273.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine is sourced from PubChem (CID 43767058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).