1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine

C16H28N2O — CID 61423746

IUPAC1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
SMILESCCN(Cc1ccco1)C1(CN)CCCCCCC1
InChIInChI=1S/C16H28N2O/c1-2-18(13-15-9-8-12-19-15)16(14-17)10-6-4-3-5-7-11-16/h8-9,12H,2-7,10-11,13-14,17H2,1H3
InChIKeyHVEFQJOYTZEBGT-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.54
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine

1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine (PubChem CID 61423746) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
PubChem CID61423746
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
SMILESCCN(Cc1ccco1)C1(CN)CCCCCCC1
InChIInChI=1S/C16H28N2O/c1-2-18(13-15-9-8-12-19-15)16(14-17)10-6-4-3-5-7-11-16/h8-9,12H,2-7,10-11,13-14,17H2,1H3
InChIKeyHVEFQJOYTZEBGT-UHFFFAOYSA-N
XLogP3.54
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65088021
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115999043
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758010
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
CID 63480828
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853318
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65078163
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146
1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82867122
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106663030
1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
CID 64744459
3-(aminomethyl)-1-cyclopropyl-N-(furan-2-ylmethyl)-N-methylpyrrolidin-3-amine
CID 55140051

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine (CID 61423746) is 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine is CCN(Cc1ccco1)C1(CN)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine?
The InChIKey is HVEFQJOYTZEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-18(13-15-9-8-12-19-15)16(14-17)10-6-4-3-5-7-11-16/h8-9,12H,2-7,10-11,13-14,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine?
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine is sourced from PubChem (CID 61423746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).