(Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile

C11H20N2 — CID 143460836

IUPAC(Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile
SMILESCN/C(CC(C)C)=C(\C#N)C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)6-11(13-5)10(7-12)9(3)4/h8-9,13H,6H2,1-5H3/b11-10+
InChIKeyKAEFEAFKTBKWOD-ZHACJKMWSA-N
MW180.29 g/mol
LogP2.69
Rot. Bonds4

About (Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile

(Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile (PubChem CID 143460836) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile.

Molecular Properties

Compound Name(Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile
PubChem CID143460836
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile
SMILESCN/C(CC(C)C)=C(\C#N)C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)6-11(13-5)10(7-12)9(3)4/h8-9,13H,6H2,1-5H3/b11-10+
InChIKeyKAEFEAFKTBKWOD-ZHACJKMWSA-N
XLogP2.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile?
The IUPAC name of (Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile (CID 143460836) is (Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile.
What is the SMILES notation for (Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile?
The canonical SMILES for (Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile is CN/C(CC(C)C)=C(\C#N)C(C)C.
What is the InChIKey of (Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile?
The InChIKey is KAEFEAFKTBKWOD-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)6-11(13-5)10(7-12)9(3)4/h8-9,13H,6H2,1-5H3/b11-10+.
What are the key properties of (Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile?
(Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile is sourced from PubChem (CID 143460836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).