(Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine

C11H23N — CID 146322728

IUPAC(Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine
SMILESCC/C=C\C(C)(CN)CC(C)C
InChIInChI=1S/C11H23N/c1-5-6-7-11(4,9-12)8-10(2)3/h6-7,10H,5,8-9,12H2,1-4H3/b7-6-
InChIKeyICCNHLXFLLGEIP-SREVYHEPSA-N
MW169.31 g/mol
LogP2.96
Rot. Bonds5

About (Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine

(Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine (PubChem CID 146322728) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine
PubChem CID146322728
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine
SMILESCC/C=C\C(C)(CN)CC(C)C
InChIInChI=1S/C11H23N/c1-5-6-7-11(4,9-12)8-10(2)3/h6-7,10H,5,8-9,12H2,1-4H3/b7-6-
InChIKeyICCNHLXFLLGEIP-SREVYHEPSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine?
The IUPAC name of (Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine (CID 146322728) is (Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine?
The canonical SMILES for (Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine is CC/C=C\C(C)(CN)CC(C)C.
What is the InChIKey of (Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine?
The InChIKey is ICCNHLXFLLGEIP-SREVYHEPSA-N. The full InChI is InChI=1S/C11H23N/c1-5-6-7-11(4,9-12)8-10(2)3/h6-7,10H,5,8-9,12H2,1-4H3/b7-6-.
What are the key properties of (Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine?
(Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine is sourced from PubChem (CID 146322728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).