N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine

C15H25NO — CID 65081351

IUPACN-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NC(C)Cc2ccco2)CC1
InChIInChI=1S/C15H25NO/c1-12-5-3-6-14(9-8-12)16-13(2)11-15-7-4-10-17-15/h4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3
InChIKeyQLHRDZRXOOWJJT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.77
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine

N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine (PubChem CID 65081351) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
PubChem CID65081351
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NC(C)Cc2ccco2)CC1
InChIInChI=1S/C15H25NO/c1-12-5-3-6-14(9-8-12)16-13(2)11-15-7-4-10-17-15/h4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3
InChIKeyQLHRDZRXOOWJJT-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 63086190
N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472160
4-[1-(furan-2-yl)propan-2-ylamino]cyclohexane-1-carboxamide
CID 55181509
4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine
CID 65081242
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
CID 65082213
N-(1-cyclopentylethyl)-1-(furan-2-yl)propan-2-amine
CID 62634085
3-ethoxy-N-[1-(furan-2-yl)propan-2-yl]cyclobutan-1-amine
CID 112553035
N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65079928
N-cycloheptyl-N'-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084182
N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 83175112
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine (CID 65081351) is N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine is CC1CCCC(NC(C)Cc2ccco2)CC1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine?
The InChIKey is QLHRDZRXOOWJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-5-3-6-14(9-8-12)16-13(2)11-15-7-4-10-17-15/h4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine?
N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65081351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).