10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate

C20H43NO — CID 173347428

IUPAC10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate
SMILESCCN(CC)CCCCCCCCCCC1CCCCC1.O
InChIInChI=1S/C20H41N.H2O/c1-3-21(4-2)19-15-10-8-6-5-7-9-12-16-20-17-13-11-14-18-20;/h20H,3-19H2,1-2H3;1H2
InChIKeyZRPHZCATNZIKPT-UHFFFAOYSA-N
MW313.57 g/mol
LogP5.59
Rot. Bonds13

About 10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate

10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate (PubChem CID 173347428) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is 10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate.

Molecular Properties

Compound Name10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate
PubChem CID173347428
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC Name10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate
SMILESCCN(CC)CCCCCCCCCCC1CCCCC1.O
InChIInChI=1S/C20H41N.H2O/c1-3-21(4-2)19-15-10-8-6-5-7-9-12-16-20-17-13-11-14-18-20;/h20H,3-19H2,1-2H3;1H2
InChIKeyZRPHZCATNZIKPT-UHFFFAOYSA-N
XLogP5.59
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-cyclohexyl-N,N-dipropyldecan-1-amine;hydrochloride
CID 173360948
N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960501
N,N-diethyl-4-piperidin-4-ylbutan-1-amine
CID 10081918
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
2-cyclobutyl-N,N-diethylethanamine
CID 142625062
tetradecylcyclododecane
CID 169026037
4-cyclopentylbutylcyclohexane
CID 144547696
azane;heptylcyclohexane
CID 121434222
N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine
CID 143839943
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate?
The IUPAC name of 10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate (CID 173347428) is 10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate.
What is the SMILES notation for 10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate?
The canonical SMILES for 10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate is CCN(CC)CCCCCCCCCCC1CCCCC1.O.
What is the InChIKey of 10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate?
The InChIKey is ZRPHZCATNZIKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N.H2O/c1-3-21(4-2)19-15-10-8-6-5-7-9-12-16-20-17-13-11-14-18-20;/h20H,3-19H2,1-2H3;1H2.
What are the key properties of 10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate?
10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate has a molecular weight of 313.57 g/mol, XLogP of 5.59, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate is sourced from PubChem (CID 173347428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).