ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen

C15H35NO — CID 153371051

IUPACethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen
SMILESC=C(NCCCCCCOCC)C(C)C.CC.[H][H]
InChIInChI=1S/C13H27NO.C2H6.H2/c1-5-15-11-9-7-6-8-10-14-13(4)12(2)3;1-2;/h12,14H,4-11H2,1-3H3;1-2H3;1H
InChIKeyPUYCEGPCOOXZBI-UHFFFAOYSA-N
MW245.45 g/mol
LogP4.61
Rot. Bonds10

About ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen

ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen (PubChem CID 153371051) has the molecular formula C15H35NO and a molecular weight of 245.45 g/mol. Its IUPAC name is ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen
PubChem CID153371051
Molecular FormulaC15H35NO
Molecular Weight245.45 g/mol
Exact Mass245.27
IUPAC Nameethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen
SMILESC=C(NCCCCCCOCC)C(C)C.CC.[H][H]
InChIInChI=1S/C13H27NO.C2H6.H2/c1-5-15-11-9-7-6-8-10-14-13(4)12(2)3;1-2;/h12,14H,4-11H2,1-3H3;1-2H3;1H
InChIKeyPUYCEGPCOOXZBI-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.45
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen?
The IUPAC name of ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen (CID 153371051) is ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen?
The canonical SMILES for ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen is C=C(NCCCCCCOCC)C(C)C.CC.[H][H].
What is the InChIKey of ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen?
The InChIKey is PUYCEGPCOOXZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.C2H6.H2/c1-5-15-11-9-7-6-8-10-14-13(4)12(2)3;1-2;/h12,14H,4-11H2,1-3H3;1-2H3;1H.
What are the key properties of ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen?
ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen has a molecular weight of 245.45 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine;molecular hydrogen is sourced from PubChem (CID 153371051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).