N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane

C17H34N2 — CID 142203770

IUPACN'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane
SMILESC=C/C=C\C(=C)C(C)CCN(C)CCCN.CCC
InChIInChI=1S/C14H26N2.C3H8/c1-5-6-8-13(2)14(3)9-12-16(4)11-7-10-15;1-3-2/h5-6,8,14H,1-2,7,9-12,15H2,3-4H3;3H2,1-2H3/b8-6-;
InChIKeySFKAOTGNKMVEGL-PHZXCRFESA-N
MW266.47 g/mol
LogP4.01
Rot. Bonds9

About N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane

N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane (PubChem CID 142203770) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane.

Molecular Properties

Compound NameN'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane
PubChem CID142203770
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane
SMILESC=C/C=C\C(=C)C(C)CCN(C)CCCN.CCC
InChIInChI=1S/C14H26N2.C3H8/c1-5-6-8-13(2)14(3)9-12-16(4)11-7-10-15;1-3-2/h5-6,8,14H,1-2,7,9-12,15H2,3-4H3;3H2,1-2H3/b8-6-;
InChIKeySFKAOTGNKMVEGL-PHZXCRFESA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane?
The IUPAC name of N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane (CID 142203770) is N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane.
What is the SMILES notation for N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane?
The canonical SMILES for N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane is C=C/C=C\C(=C)C(C)CCN(C)CCCN.CCC.
What is the InChIKey of N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane?
The InChIKey is SFKAOTGNKMVEGL-PHZXCRFESA-N. The full InChI is InChI=1S/C14H26N2.C3H8/c1-5-6-8-13(2)14(3)9-12-16(4)11-7-10-15;1-3-2/h5-6,8,14H,1-2,7,9-12,15H2,3-4H3;3H2,1-2H3/b8-6-;.
What are the key properties of N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane?
N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane has a molecular weight of 266.47 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane is sourced from PubChem (CID 142203770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).