(3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine

C14H25N — CID 144895576

IUPAC(3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine
SMILESC=C/C=C\C(=C)C(C)C.CN1CCCC1
InChIInChI=1S/C9H14.C5H11N/c1-5-6-7-9(4)8(2)3;1-6-4-2-3-5-6/h5-8H,1,4H2,2-3H3;2-5H2,1H3/b7-6-;
InChIKeyRGKOPNCXMZZAMM-NAFXZHHSSA-N
MW207.36 g/mol
LogP3.65
Rot. Bonds3

About (3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine

(3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine (PubChem CID 144895576) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine.

Molecular Properties

Compound Name(3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine
PubChem CID144895576
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine
SMILESC=C/C=C\C(=C)C(C)C.CN1CCCC1
InChIInChI=1S/C9H14.C5H11N/c1-5-6-7-9(4)8(2)3;1-6-4-2-3-5-6/h5-8H,1,4H2,2-3H3;2-5H2,1H3/b7-6-;
InChIKeyRGKOPNCXMZZAMM-NAFXZHHSSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine?
The IUPAC name of (3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine (CID 144895576) is (3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine.
What is the SMILES notation for (3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine?
The canonical SMILES for (3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine is C=C/C=C\C(=C)C(C)C.CN1CCCC1.
What is the InChIKey of (3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine?
The InChIKey is RGKOPNCXMZZAMM-NAFXZHHSSA-N. The full InChI is InChI=1S/C9H14.C5H11N/c1-5-6-7-9(4)8(2)3;1-6-4-2-3-5-6/h5-8H,1,4H2,2-3H3;2-5H2,1H3/b7-6-;.
What are the key properties of (3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine?
(3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-5-methylidenehepta-1,3-diene;1-methylpyrrolidine is sourced from PubChem (CID 144895576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).