1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine

C15H26N2O — CID 61422834

IUPAC1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine
SMILESCN(Cc1ccoc1)C1(CN)CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-17(11-14-7-10-18-12-14)15(13-16)8-5-3-2-4-6-9-15/h7,10,12H,2-6,8-9,11,13,16H2,1H3
InChIKeyWRUIZEQWGXJRMZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.15
Rot. Bonds4

About 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine

1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine (PubChem CID 61422834) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine
PubChem CID61422834
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine
SMILESCN(Cc1ccoc1)C1(CN)CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-17(11-14-7-10-18-12-14)15(13-16)8-5-3-2-4-6-9-15/h7,10,12H,2-6,8-9,11,13,16H2,1H3
InChIKeyWRUIZEQWGXJRMZ-UHFFFAOYSA-N
XLogP3.15
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine
CID 65079500
1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 61422884
2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
CID 65240642
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848
2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63631153
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
CID 79521426
1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile
CID 164650443
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62007283
2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
CID 61421775
1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopropan-1-amine
CID 65458432
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 62010342

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine (CID 61422834) is 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine is CN(Cc1ccoc1)C1(CN)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine?
The InChIKey is WRUIZEQWGXJRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-17(11-14-7-10-18-12-14)15(13-16)8-5-3-2-4-6-9-15/h7,10,12H,2-6,8-9,11,13,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine?
1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine is sourced from PubChem (CID 61422834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).