N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine

C21H44N2 — CID 166733475

IUPACN,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine
SMILESCCCC(C)CCCCN1CCC(CN(C)CC(C)CC)CC1
InChIInChI=1S/C21H44N2/c1-6-10-20(4)11-8-9-14-23-15-12-21(13-16-23)18-22(5)17-19(3)7-2/h19-21H,6-18H2,1-5H3
InChIKeyGGHINDSMWQDHHZ-UHFFFAOYSA-N
MW324.60 g/mol
LogP5.28
Rot. Bonds12

About N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine

N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine (PubChem CID 166733475) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine
PubChem CID166733475
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC NameN,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine
SMILESCCCC(C)CCCCN1CCC(CN(C)CC(C)CC)CC1
InChIInChI=1S/C21H44N2/c1-6-10-20(4)11-8-9-14-23-15-12-21(13-16-23)18-22(5)17-19(3)7-2/h19-21H,6-18H2,1-5H3
InChIKeyGGHINDSMWQDHHZ-UHFFFAOYSA-N
XLogP5.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine
CID 156795126
1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine
CID 79328509
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine
CID 115214466
4-ethyl-1-(3-methylhexyl)piperidine
CID 176984647
N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine
CID 166678849
ethane;4-ethyl-1-(6-methylheptyl)piperidine
CID 170614915
2-methyl-5-(4-propylpiperidin-1-yl)pentan-1-amine
CID 82016996
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine
CID 80690370

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine (CID 166733475) is N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine is CCCC(C)CCCCN1CCC(CN(C)CC(C)CC)CC1.
What is the InChIKey of N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine?
The InChIKey is GGHINDSMWQDHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2/c1-6-10-20(4)11-8-9-14-23-15-12-21(13-16-23)18-22(5)17-19(3)7-2/h19-21H,6-18H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine?
N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine has a molecular weight of 324.60 g/mol, XLogP of 5.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 166733475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).