hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine

C19H35N — CID 161132633

IUPAChepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine
SMILESC.C=CCC=C.C=CCCCC=C.C=CCNCC=C
InChIInChI=1S/C7H12.C6H11N.C5H8.CH4/c2*1-3-5-7-6-4-2;1-3-5-4-2;/h3-4H,1-2,5-7H2;3-4,7H,1-2,5-6H2;3-4H,1-2,5H2;1H4
InChIKeyUMJVCDCESIDFEQ-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.86
Rot. Bonds10

About hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine

hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine (PubChem CID 161132633) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Namehepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine
PubChem CID161132633
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Namehepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine
SMILESC.C=CCC=C.C=CCCCC=C.C=CCNCC=C
InChIInChI=1S/C7H12.C6H11N.C5H8.CH4/c2*1-3-5-7-6-4-2;1-3-5-4-2;/h3-4H,1-2,5-7H2;3-4,7H,1-2,5-6H2;3-4H,1-2,5H2;1H4
InChIKeyUMJVCDCESIDFEQ-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.86
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

N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 23073046
N-prop-2-enylprop-2-en-1-amine;hydrofluoride
CID 86146928
N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 87793604
ethane;N-prop-2-enylpent-4-en-1-amine
CID 144890480
sodium;hydride;N-prop-2-enylprop-2-en-1-amine
CID 173095987
N-prop-2-enylpenta-2,4-dien-1-amine
CID 54219064
N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
dodeca-1,6,11-triene
CID 548864
4-(prop-2-enylamino)but-2-enoic acid
CID 174638295
oxirane;N-prop-2-enylprop-2-en-1-amine
CID 174833487
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392

Frequently Asked Questions

What is the IUPAC name of hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine (CID 161132633) is hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine is C.C=CCC=C.C=CCCCC=C.C=CCNCC=C.
What is the InChIKey of hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is UMJVCDCESIDFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C6H11N.C5H8.CH4/c2*1-3-5-7-6-4-2;1-3-5-4-2;/h3-4H,1-2,5-7H2;3-4,7H,1-2,5-6H2;3-4H,1-2,5H2;1H4.
What are the key properties of hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine?
hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 161132633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).