dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene

C50H104N2 — CID 143720751

IUPACdodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene
SMILESC=C.C=C(N)CCCCCCCCCCCCC.C=C=C.C=CCCCN.CCCCCCCC(CC)CCC.CCCCCCCCCCCC
InChIInChI=1S/C15H31N.C13H28.C12H26.C5H11N.C3H4.C2H4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16;1-4-7-8-9-10-12-13(6-3)11-5-2;1-3-5-7-9-11-12-10-8-6-4-2;1-2-3-4-5-6;1-3-2;1-2/h2-14,16H2,1H3;13H,4-12H2,1-3H3;3-12H2,1-2H3;2H,1,3-6H2;1-2H2;1-2H2
InChIKeyQJKXKWZMFOUHHN-UHFFFAOYSA-N
MW733.40 g/mol
LogP17.93
Rot. Bonds33

About dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene

dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene (PubChem CID 143720751) has the molecular formula C50H104N2 and a molecular weight of 733.40 g/mol. Its IUPAC name is dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene.

Molecular Properties

Compound Namedodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene
PubChem CID143720751
Molecular FormulaC50H104N2
Molecular Weight733.40 g/mol
Exact Mass732.82
IUPAC Namedodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene
SMILESC=C.C=C(N)CCCCCCCCCCCCC.C=C=C.C=CCCCN.CCCCCCCC(CC)CCC.CCCCCCCCCCCC
InChIInChI=1S/C15H31N.C13H28.C12H26.C5H11N.C3H4.C2H4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16;1-4-7-8-9-10-12-13(6-3)11-5-2;1-3-5-7-9-11-12-10-8-6-4-2;1-2-3-4-5-6;1-3-2;1-2/h2-14,16H2,1H3;13H,4-12H2,1-3H3;3-12H2,1-2H3;2H,1,3-6H2;1-2H2;1-2H2
InChIKeyQJKXKWZMFOUHHN-UHFFFAOYSA-N
XLogP17.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.40
LogP ≤ 517.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

11-ethyl-9-methylidenehexadec-1-ene
CID 155570249
10-ethyldocos-1-ene
CID 91804827
8-ethylpentadec-1-ene
CID 91081893
6-ethyltridec-1-ene
CID 174048481
9-ethylhexadec-1-ene
CID 163949602
14-ethyl-11-methylideneoctacosane
CID 142291477
2-propyldec-9-en-1-amine
CID 87482159
26-heptadecylnonapentacont-1-ene
CID 123445046
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
9-propyldodec-1-ene
CID 174048054
4-ethylhexadecane
CID 528433

Frequently Asked Questions

What is the IUPAC name of dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene?
The IUPAC name of dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene (CID 143720751) is dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene.
What is the SMILES notation for dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene?
The canonical SMILES for dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene is C=C.C=C(N)CCCCCCCCCCCCC.C=C=C.C=CCCCN.CCCCCCCC(CC)CCC.CCCCCCCCCCCC.
What is the InChIKey of dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene?
The InChIKey is QJKXKWZMFOUHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.C13H28.C12H26.C5H11N.C3H4.C2H4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16;1-4-7-8-9-10-12-13(6-3)11-5-2;1-3-5-7-9-11-12-10-8-6-4-2;1-2-3-4-5-6;1-3-2;1-2/h2-14,16H2,1H3;13H,4-12H2,1-3H3;3-12H2,1-2H3;2H,1,3-6H2;1-2H2;1-2H2.
What are the key properties of dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene?
dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene has a molecular weight of 733.40 g/mol, XLogP of 17.93, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;ethene;4-ethylundecane;pentadec-1-en-2-amine;pent-4-en-1-amine;propa-1,2-diene is sourced from PubChem (CID 143720751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).