N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine

C15H25NO — CID 104805664

IUPACN-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1occc1C)C1CCCCCC1
InChIInChI=1S/C15H25NO/c1-3-16-14(15-12(2)10-11-17-15)13-8-6-4-5-7-9-13/h10-11,13-14,16H,3-9H2,1-2H3
InChIKeyZQMLAQBRYJIKHH-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.21
Rot. Bonds4

About N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine

N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine (PubChem CID 104805664) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine
PubChem CID104805664
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1occc1C)C1CCCCCC1
InChIInChI=1S/C15H25NO/c1-3-16-14(15-12(2)10-11-17-15)13-8-6-4-5-7-9-13/h10-11,13-14,16H,3-9H2,1-2H3
InChIKeyZQMLAQBRYJIKHH-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine
CID 106858770
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805642
N-[(4-bromo-3,5-dimethylphenyl)-cycloheptylmethyl]ethanamine
CID 114330720
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 116506465
N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine
CID 115861255
N-methyl-1-(3-methylcyclohexyl)-1-(3-methylfuran-2-yl)methanamine
CID 104804739

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine (CID 104805664) is N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine is CCNC(c1occc1C)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is ZQMLAQBRYJIKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-16-14(15-12(2)10-11-17-15)13-8-6-4-5-7-9-13/h10-11,13-14,16H,3-9H2,1-2H3.
What are the key properties of N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine?
N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 104805664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).