N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine

C19H30N2 — CID 63158568

IUPACN-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCC3(CCCC3)CC2)cc1C
InChIInChI=1S/C19H30N2/c1-3-20-15-17-6-7-18(14-16(17)2)21-12-10-19(11-13-21)8-4-5-9-19/h6-7,14,20H,3-5,8-13,15H2,1-2H3
InChIKeyYETDQDOTMJGSHQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.27
Rot. Bonds4

About N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine

N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine (PubChem CID 63158568) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine
PubChem CID63158568
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCC3(CCCC3)CC2)cc1C
InChIInChI=1S/C19H30N2/c1-3-20-15-17-6-7-18(14-16(17)2)21-12-10-19(11-13-21)8-4-5-9-19/h6-7,14,20H,3-5,8-13,15H2,1-2H3
InChIKeyYETDQDOTMJGSHQ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol
CID 62135193
N-[[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62930040
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylphenyl]methyl]ethanamine
CID 115560663
N-[[4-(azocan-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62134161
1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626665
4-[4-(ethylaminomethyl)-3-methylphenyl]-1-methyl-1,4-diazepan-2-one
CID 102889685
4-[4-(ethylaminomethyl)-3-methylphenyl]-1,4-diazepan-2-one
CID 65366483
N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine
CID 106532441
N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine
CID 105073842
N-[[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylphenyl]methyl]propan-2-amine
CID 107457091
N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 105073768
N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine
CID 81253435

Frequently Asked Questions

What is the IUPAC name of N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine (CID 63158568) is N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine is CCNCc1ccc(N2CCC3(CCCC3)CC2)cc1C.
What is the InChIKey of N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine?
The InChIKey is YETDQDOTMJGSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-20-15-17-6-7-18(14-16(17)2)21-12-10-19(11-13-21)8-4-5-9-19/h6-7,14,20H,3-5,8-13,15H2,1-2H3.
What are the key properties of N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine?
N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine has a molecular weight of 286.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 63158568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).