molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine

C15H33NO — CID 177357546

IUPACmolecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine
SMILESCCCCCOCC1CCC(CNCC)CC1.[H][H]
InChIInChI=1S/C15H31NO.H2/c1-3-5-6-11-17-13-15-9-7-14(8-10-15)12-16-4-2;/h14-16H,3-13H2,1-2H3;1H
InChIKeyWGCFQZXTKVWAGN-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.86
Rot. Bonds9

About molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine

molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine (PubChem CID 177357546) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound Namemolecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine
PubChem CID177357546
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Namemolecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine
SMILESCCCCCOCC1CCC(CNCC)CC1.[H][H]
InChIInChI=1S/C15H31NO.H2/c1-3-5-6-11-17-13-15-9-7-14(8-10-15)12-16-4-2;/h14-16H,3-13H2,1-2H3;1H
InChIKeyWGCFQZXTKVWAGN-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecoxymethylcyclopropane;methane;tetradecoxymethylcyclopropane;tridecoxymethylcyclopropane
CID 161458556
N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine
CID 43130311
N-[(4-butylcyclohexyl)methyl]ethanamine
CID 43163710
N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55077566
2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 115868513
N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
CID 143678489
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
2-(cyclobutylmethoxy)-N-ethylethanamine
CID 65457853
4-[2-[4-(pentoxymethyl)cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 19899818
N-(cyclopentylmethyl)-2-heptoxyethanamine
CID 62598497
1-butyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
CID 111151016
N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 62457821

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine (CID 177357546) is molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine is CCCCCOCC1CCC(CNCC)CC1.[H][H].
What is the InChIKey of molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is WGCFQZXTKVWAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO.H2/c1-3-5-6-11-17-13-15-9-7-14(8-10-15)12-16-4-2;/h14-16H,3-13H2,1-2H3;1H.
What are the key properties of molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine?
molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 243.43 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 177357546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).