1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine

C11H20N2 — CID 130417814

IUPAC1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine
SMILESC=C/C(C)=C\N(CCC)C(=C)NC
InChIInChI=1S/C11H20N2/c1-6-8-13(11(4)12-5)9-10(3)7-2/h7,9,12H,2,4,6,8H2,1,3,5H3/b10-9-
InChIKeyMRWDILCCOUYWKH-KTKRTIGZSA-N
MW180.29 g/mol
LogP2.48
Rot. Bonds6

About 1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine

1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine (PubChem CID 130417814) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine
PubChem CID130417814
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine
SMILESC=C/C(C)=C\N(CCC)C(=C)NC
InChIInChI=1S/C11H20N2/c1-6-8-13(11(4)12-5)9-10(3)7-2/h7,9,12H,2,4,6,8H2,1,3,5H3/b10-9-
InChIKeyMRWDILCCOUYWKH-KTKRTIGZSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.48
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 1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine?
The IUPAC name of 1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine (CID 130417814) is 1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine.
What is the SMILES notation for 1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine?
The canonical SMILES for 1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine is C=C/C(C)=C\N(CCC)C(=C)NC.
What is the InChIKey of 1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine?
The InChIKey is MRWDILCCOUYWKH-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-8-13(11(4)12-5)9-10(3)7-2/h7,9,12H,2,4,6,8H2,1,3,5H3/b10-9-.
What are the key properties of 1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine?
1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine has a molecular weight of 180.29 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine is sourced from PubChem (CID 130417814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).