6-methyl-2-propan-2-yliminohept-3-en-4-amine

C11H22N2 — CID 87697171

IUPAC6-methyl-2-propan-2-yliminohept-3-en-4-amine
SMILESC/C(C=C(N)CC(C)C)=N\C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)6-11(12)7-10(5)13-9(3)4/h7-9H,6,12H2,1-5H3/b11-7?,13-10+
InChIKeyIMJWSZXPHIQPMG-HYFKDZMGSA-N
MW182.31 g/mol
LogP2.74
Rot. Bonds4

About 6-methyl-2-propan-2-yliminohept-3-en-4-amine

6-methyl-2-propan-2-yliminohept-3-en-4-amine (PubChem CID 87697171) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yliminohept-3-en-4-amine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yliminohept-3-en-4-amine
PubChem CID87697171
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name6-methyl-2-propan-2-yliminohept-3-en-4-amine
SMILESC/C(C=C(N)CC(C)C)=N\C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)6-11(12)7-10(5)13-9(3)4/h7-9H,6,12H2,1-5H3/b11-7?,13-10+
InChIKeyIMJWSZXPHIQPMG-HYFKDZMGSA-N
XLogP2.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yliminohept-3-en-4-amine?
The IUPAC name of 6-methyl-2-propan-2-yliminohept-3-en-4-amine (CID 87697171) is 6-methyl-2-propan-2-yliminohept-3-en-4-amine.
What is the SMILES notation for 6-methyl-2-propan-2-yliminohept-3-en-4-amine?
The canonical SMILES for 6-methyl-2-propan-2-yliminohept-3-en-4-amine is C/C(C=C(N)CC(C)C)=N\C(C)C.
What is the InChIKey of 6-methyl-2-propan-2-yliminohept-3-en-4-amine?
The InChIKey is IMJWSZXPHIQPMG-HYFKDZMGSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)6-11(12)7-10(5)13-9(3)4/h7-9H,6,12H2,1-5H3/b11-7?,13-10+.
What are the key properties of 6-methyl-2-propan-2-yliminohept-3-en-4-amine?
6-methyl-2-propan-2-yliminohept-3-en-4-amine has a molecular weight of 182.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yliminohept-3-en-4-amine is sourced from PubChem (CID 87697171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).