butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane

C36H83N — CID 142531467

IUPACbutane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane
SMILESC=CCCCCCCCCCNC.CC.CCC.CCC.CCCC.CCCCCCC(CC)CCC
InChIInChI=1S/C12H25N.C12H26.C4H10.2C3H8.C2H6/c1-3-4-5-6-7-8-9-10-11-12-13-2;1-4-7-8-9-11-12(6-3)10-5-2;1-3-4-2;2*1-3-2;1-2/h3,13H,1,4-12H2,2H3;12H,4-11H2,1-3H3;3-4H2,1-2H3;2*3H2,1-2H3;1-2H3
InChIKeyQPEIJYOSMIVCEP-UHFFFAOYSA-N
MW530.07 g/mol
LogP13.96
Rot. Bonds19

About butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane

butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane (PubChem CID 142531467) has the molecular formula C36H83N and a molecular weight of 530.07 g/mol. Its IUPAC name is butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane.

Molecular Properties

Compound Namebutane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane
PubChem CID142531467
Molecular FormulaC36H83N
Molecular Weight530.07 g/mol
Exact Mass529.65
IUPAC Namebutane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane
SMILESC=CCCCCCCCCCNC.CC.CCC.CCC.CCCC.CCCCCCC(CC)CCC
InChIInChI=1S/C12H25N.C12H26.C4H10.2C3H8.C2H6/c1-3-4-5-6-7-8-9-10-11-12-13-2;1-4-7-8-9-11-12(6-3)10-5-2;1-3-4-2;2*1-3-2;1-2/h3,13H,1,4-12H2,2H3;12H,4-11H2,1-3H3;3-4H2,1-2H3;2*3H2,1-2H3;1-2H3
InChIKeyQPEIJYOSMIVCEP-UHFFFAOYSA-N
XLogP13.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.07
LogP ≤ 513.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine
CID 166976507
2,2-Diallylazacyclotridecane
CID 3640984
N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine
CID 11031535
(4S,8R)-4-ethyl-8-methyldec-9-en-1-amine
CID 54597401
Diallylbutylmethylammonium iodide
CID 129824703
(2R,3S,5S,6R)-2-deca-3,4,9-trienyl-3,5-dimethyl-6-(2-methylprop-2-enyl)piperidine
CID 134951790
3-Allylazacyclotridecane
CID 145865699
N-ethyl-2-methylnon-8-en-3-amine
CID 64496500
2-ethenyl-N-methylhexan-1-amine
CID 13601827
N-ethyl-2-methyldec-9-en-1-amine
CID 17824884
N,2-dimethyloct-7-en-1-amine
CID 17824885
2-ethyl-N-methylundec-10-en-1-amine
CID 17824889

Frequently Asked Questions

What is the IUPAC name of butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane?
The IUPAC name of butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane (CID 142531467) is butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane.
What is the SMILES notation for butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane?
The canonical SMILES for butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane is C=CCCCCCCCCCNC.CC.CCC.CCC.CCCC.CCCCCCC(CC)CCC.
What is the InChIKey of butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane?
The InChIKey is QPEIJYOSMIVCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C12H26.C4H10.2C3H8.C2H6/c1-3-4-5-6-7-8-9-10-11-12-13-2;1-4-7-8-9-11-12(6-3)10-5-2;1-3-4-2;2*1-3-2;1-2/h3,13H,1,4-12H2,2H3;12H,4-11H2,1-3H3;3-4H2,1-2H3;2*3H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane?
butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane has a molecular weight of 530.07 g/mol, XLogP of 13.96, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane is sourced from PubChem (CID 142531467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).