(Z)-7-methyl-4-propan-2-yloct-4-en-2-amine

C12H25N — CID 55254142

IUPAC(Z)-7-methyl-4-propan-2-yloct-4-en-2-amine
SMILESCC(C)C/C=C(/CC(C)N)C(C)C
InChIInChI=1S/C12H25N/c1-9(2)6-7-12(10(3)4)8-11(5)13/h7,9-11H,6,8,13H2,1-5H3/b12-7-
InChIKeyZZGQPEUSKZVRDM-GHXNOFRVSA-N
MW183.34 g/mol
LogP3.35
Rot. Bonds5

About (Z)-7-methyl-4-propan-2-yloct-4-en-2-amine

(Z)-7-methyl-4-propan-2-yloct-4-en-2-amine (PubChem CID 55254142) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (Z)-7-methyl-4-propan-2-yloct-4-en-2-amine.

Molecular Properties

Compound Name(Z)-7-methyl-4-propan-2-yloct-4-en-2-amine
PubChem CID55254142
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(Z)-7-methyl-4-propan-2-yloct-4-en-2-amine
SMILESCC(C)C/C=C(/CC(C)N)C(C)C
InChIInChI=1S/C12H25N/c1-9(2)6-7-12(10(3)4)8-11(5)13/h7,9-11H,6,8,13H2,1-5H3/b12-7-
InChIKeyZZGQPEUSKZVRDM-GHXNOFRVSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.35
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)-7-methyl-4-propan-2-yloct-4-en-2-amine?
The IUPAC name of (Z)-7-methyl-4-propan-2-yloct-4-en-2-amine (CID 55254142) is (Z)-7-methyl-4-propan-2-yloct-4-en-2-amine.
What is the SMILES notation for (Z)-7-methyl-4-propan-2-yloct-4-en-2-amine?
The canonical SMILES for (Z)-7-methyl-4-propan-2-yloct-4-en-2-amine is CC(C)C/C=C(/CC(C)N)C(C)C.
What is the InChIKey of (Z)-7-methyl-4-propan-2-yloct-4-en-2-amine?
The InChIKey is ZZGQPEUSKZVRDM-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)6-7-12(10(3)4)8-11(5)13/h7,9-11H,6,8,13H2,1-5H3/b12-7-.
What are the key properties of (Z)-7-methyl-4-propan-2-yloct-4-en-2-amine?
(Z)-7-methyl-4-propan-2-yloct-4-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-methyl-4-propan-2-yloct-4-en-2-amine is sourced from PubChem (CID 55254142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).