N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane

C16H35NO — CID 142832141

IUPACN-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane
SMILESCC.CCCC(CNCC1CCCCC1)OCC
InChIInChI=1S/C14H29NO.C2H6/c1-3-8-14(16-4-2)12-15-11-13-9-6-5-7-10-13;1-2/h13-15H,3-12H2,1-2H3;1-2H3
InChIKeyGJDJNSZKRYKEBJ-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.39
Rot. Bonds8

About N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane

N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane (PubChem CID 142832141) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane
PubChem CID142832141
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane
SMILESCC.CCCC(CNCC1CCCCC1)OCC
InChIInChI=1S/C14H29NO.C2H6/c1-3-8-14(16-4-2)12-15-11-13-9-6-5-7-10-13;1-2/h13-15H,3-12H2,1-2H3;1-2H3
InChIKeyGJDJNSZKRYKEBJ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane?
The IUPAC name of N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane (CID 142832141) is N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane.
What is the SMILES notation for N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane?
The canonical SMILES for N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane is CC.CCCC(CNCC1CCCCC1)OCC.
What is the InChIKey of N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane?
The InChIKey is GJDJNSZKRYKEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.C2H6/c1-3-8-14(16-4-2)12-15-11-13-9-6-5-7-10-13;1-2/h13-15H,3-12H2,1-2H3;1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane?
N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane has a molecular weight of 257.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-ethoxypentan-1-amine;ethane is sourced from PubChem (CID 142832141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).