1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine

C18H30N2O — CID 62930306

IUPAC1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc(CN2CCC3(CCCCC3)CC2)cc1C
InChIInChI=1S/C18H30N2O/c1-15-12-16(21-17(15)13-19-2)14-20-10-8-18(9-11-20)6-4-3-5-7-18/h12,19H,3-11,13-14H2,1-2H3
InChIKeyKCWWOPOVKDNRLK-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.85
Rot. Bonds4

About 1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine

1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 62930306) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
PubChem CID62930306
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc(CN2CCC3(CCCCC3)CC2)cc1C
InChIInChI=1S/C18H30N2O/c1-15-12-16(21-17(15)13-19-2)14-20-10-8-18(9-11-20)6-4-3-5-7-18/h12,19H,3-11,13-14H2,1-2H3
InChIKeyKCWWOPOVKDNRLK-UHFFFAOYSA-N
XLogP3.85
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62438729
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62439093
1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine
CID 62931505
N-methyl-1-[3-methyl-5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 55070259
1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 104692232
[5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 65286758
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62439197
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62930821
N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine
CID 102886883
N-[[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62930641
N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62418971
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-methylaniline
CID 62930793

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine (CID 62930306) is 1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine is CNCc1oc(CN2CCC3(CCCCC3)CC2)cc1C.
What is the InChIKey of 1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is KCWWOPOVKDNRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15-12-16(21-17(15)13-19-2)14-20-10-8-18(9-11-20)6-4-3-5-7-18/h12,19H,3-11,13-14H2,1-2H3.
What are the key properties of 1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62930306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).