N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine

C24H50N2O — CID 174340568

IUPACN-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine
SMILESCC(C)(C)CCCCCNC1CCCN(CCOCCCCC(C)(C)C)C1
InChIInChI=1S/C24H50N2O/c1-23(2,3)14-8-7-10-16-25-22-13-12-17-26(21-22)18-20-27-19-11-9-15-24(4,5)6/h22,25H,7-21H2,1-6H3
InChIKeyVKJHQMYGWFXFSM-UHFFFAOYSA-N
MW382.68 g/mol
LogP5.88
Rot. Bonds13

About N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine

N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine (PubChem CID 174340568) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine
PubChem CID174340568
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC NameN-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine
SMILESCC(C)(C)CCCCCNC1CCCN(CCOCCCCC(C)(C)C)C1
InChIInChI=1S/C24H50N2O/c1-23(2,3)14-8-7-10-16-25-22-13-12-17-26(21-22)18-20-27-19-11-9-15-24(4,5)6/h22,25H,7-21H2,1-6H3
InChIKeyVKJHQMYGWFXFSM-UHFFFAOYSA-N
XLogP5.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4,4-Trimethylpentan-2-yl)morpholine
CID 89987887
3-(3,3-Dimethylbutyl)morpholine
CID 89987889
1-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine
CID 118887689
1-[(4R)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine
CID 118887692
1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887791
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
N-[2-[4-[(6R)-6-[3-[2-(tert-butylamino)ethoxy]propoxy]-3,3,7,7-tetramethyloctyl]piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 135179578
1-[2-(5,5-Dimethylhexoxy)ethyl]-4-pentan-2-ylpiperazine
CID 138467064
1-[2-(7,7-Dimethyloctoxy)ethyl]piperazine
CID 138647466
1-[2-(5,5-Dimethylhexoxy)ethyl]piperazine
CID 138647812
1-[2-(6,6-Dimethylheptoxy)ethyl]piperazine
CID 138648090
N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine
CID 140908068

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine?
The IUPAC name of N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine (CID 174340568) is N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine?
The canonical SMILES for N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine is CC(C)(C)CCCCCNC1CCCN(CCOCCCCC(C)(C)C)C1.
What is the InChIKey of N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine?
The InChIKey is VKJHQMYGWFXFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O/c1-23(2,3)14-8-7-10-16-25-22-13-12-17-26(21-22)18-20-27-19-11-9-15-24(4,5)6/h22,25H,7-21H2,1-6H3.
What are the key properties of N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine?
N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine has a molecular weight of 382.68 g/mol, XLogP of 5.88, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 174340568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).