1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine

C19H30N2 — CID 62931505

IUPAC1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C19H30N2/c1-20-15-17-7-3-4-8-18(17)16-21-13-11-19(12-14-21)9-5-2-6-10-19/h3-4,7-8,20H,2,5-6,9-16H2,1H3
InChIKeyRTLPYXWQFZRHSC-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.95
Rot. Bonds4

About 1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine

1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine (PubChem CID 62931505) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine
PubChem CID62931505
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C19H30N2/c1-20-15-17-7-3-4-8-18(17)16-21-13-11-19(12-14-21)9-5-2-6-10-19/h3-4,7-8,20H,2,5-6,9-16H2,1H3
InChIKeyRTLPYXWQFZRHSC-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol
CID 82979925
1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107454972
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine
CID 107113370
N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63004193
1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62930306
1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62774841
N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55155178
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853
[2-(2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]methanamine
CID 79677418
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
CID 64769291
1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389757
1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine
CID 63158654

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine (CID 62931505) is 1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine is CNCc1ccccc1CN1CCC2(CCCCC2)CC1.
What is the InChIKey of 1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine?
The InChIKey is RTLPYXWQFZRHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-20-15-17-7-3-4-8-18(17)16-21-13-11-19(12-14-21)9-5-2-6-10-19/h3-4,7-8,20H,2,5-6,9-16H2,1H3.
What are the key properties of 1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine?
1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine has a molecular weight of 286.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62931505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).